Organoheterocyclic compounds
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1-Butyl-3-methylimidazolium chloride, 98+%
CAS: 79917-90-1 Molecular Formula: C8H15ClN2 Molecular Weight (g/mol): 174.67 MDL Number: MFCD03095425 InChI Key: FHDQNOXQSTVAIC-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 PubChem CID: 2734161 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;chloride SMILES: [Cl-].CCCCN1C=C[N+](C)=C1
| PubChem CID | 2734161 |
|---|---|
| CAS | 79917-90-1 |
| Molecular Weight (g/mol) | 174.67 |
| MDL Number | MFCD03095425 |
| SMILES | [Cl-].CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium chloride,3-butyl-1-methyl-1h-imidazol-3-ium chloride,1-n-butyl-3-methylimidazolium chloride,bmimcl,bmim cl,c4mim chloride,dsstox_cid_11461,dsstox_rid_78878,dsstox_gsid_31461 |
| IUPAC Name | 1-butyl-3-methylimidazol-3-ium;chloride |
| InChI Key | FHDQNOXQSTVAIC-UHFFFAOYSA-M |
| Molecular Formula | C8H15ClN2 |
2,5-Dimethylfuran, 98+%
CAS: 625-86-5 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.129 MDL Number: MFCD00003250 InChI Key: GSNUFIFRDBKVIE-UHFFFAOYSA-N Synonym: furan, 2,5-dimethyl,2,5-dimethylfurane,2,5-dimethyl-furan,2,5-dimethyl furane,unii-dr5hl9oj7y,ccris 3158,2,5-dimethyl furan,dr5hl9oj7y,2.5-dimethyl furan,acmc-1avpg PubChem CID: 12266 IUPAC Name: 2,5-dimethylfuran SMILES: CC1=CC=C(O1)C
| PubChem CID | 12266 |
|---|---|
| CAS | 625-86-5 |
| Molecular Weight (g/mol) | 96.129 |
| MDL Number | MFCD00003250 |
| SMILES | CC1=CC=C(O1)C |
| Synonym | furan, 2,5-dimethyl,2,5-dimethylfurane,2,5-dimethyl-furan,2,5-dimethyl furane,unii-dr5hl9oj7y,ccris 3158,2,5-dimethyl furan,dr5hl9oj7y,2.5-dimethyl furan,acmc-1avpg |
| IUPAC Name | 2,5-dimethylfuran |
| InChI Key | GSNUFIFRDBKVIE-UHFFFAOYSA-N |
| Molecular Formula | C6H8O |
Meloxicam
CAS: 71125-38-7 Molecular Formula: C14H13N3O4S2 Molecular Weight (g/mol): 351.40 MDL Number: MFCD00868752 InChI Key: DWMREKMVXIFPFM-ACCUITESSA-N Synonym: meloxicam,mobic,metacam,movalis,meloxicamum,mobicox,mobec,meloxicam mobic,movatec,parocin PubChem CID: 54677470 ChEBI: CHEBI:6741 IUPAC Name: (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione SMILES: CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O
| PubChem CID | 54677470 |
|---|---|
| CAS | 71125-38-7 |
| Molecular Weight (g/mol) | 351.40 |
| ChEBI | CHEBI:6741 |
| MDL Number | MFCD00868752 |
| SMILES | CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O |
| Synonym | meloxicam,mobic,metacam,movalis,meloxicamum,mobicox,mobec,meloxicam mobic,movatec,parocin |
| IUPAC Name | (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione |
| InChI Key | DWMREKMVXIFPFM-ACCUITESSA-N |
| Molecular Formula | C14H13N3O4S2 |
N,N'-Disuccinimidyl carbonate, 98%
CAS: 74124-79-1 Molecular Formula: C9H8N2O7 Molecular Weight (g/mol): 256.16 MDL Number: MFCD00009767 InChI Key: PFYXSUNOLOJMDX-UHFFFAOYSA-N Synonym: n,n'-disuccinimidyl carbonate,bis 2,5-dioxopyrrolidin-1-yl carbonate,n,n'-disuccinimidylcarbonate,di succinimido carbonate,disuccinimidyl carbonate,di n-succinimidyl carbonate,n,n-disuccinimidyl carbonate,dsc,disuccinimido carbonate,pubchem12700 PubChem CID: 676246 IUPAC Name: bis(2,5-dioxopyrrolidin-1-yl) carbonate SMILES: C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O
| PubChem CID | 676246 |
|---|---|
| CAS | 74124-79-1 |
| Molecular Weight (g/mol) | 256.16 |
| MDL Number | MFCD00009767 |
| SMILES | C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O |
| Synonym | n,n'-disuccinimidyl carbonate,bis 2,5-dioxopyrrolidin-1-yl carbonate,n,n'-disuccinimidylcarbonate,di succinimido carbonate,disuccinimidyl carbonate,di n-succinimidyl carbonate,n,n-disuccinimidyl carbonate,dsc,disuccinimido carbonate,pubchem12700 |
| IUPAC Name | bis(2,5-dioxopyrrolidin-1-yl) carbonate |
| InChI Key | PFYXSUNOLOJMDX-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O7 |
4-Fluoro-7-nitrobenzofurazan, 98%
CAS: 29270-56-2 Molecular Formula: C6H2FN3O3 Molecular Weight (g/mol): 183.1 MDL Number: MFCD00010196 InChI Key: PGZIDERTDJHJFY-UHFFFAOYSA-N Synonym: 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole PubChem CID: 122123 IUPAC Name: 4-fluoro-7-nitro-2,1,3-benzoxadiazole SMILES: C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]
| PubChem CID | 122123 |
|---|---|
| CAS | 29270-56-2 |
| Molecular Weight (g/mol) | 183.1 |
| MDL Number | MFCD00010196 |
| SMILES | C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-] |
| Synonym | 4-fluoro-7-nitrobenzofurazan,nbd-f,4-fluoro-7-nitrobenzo c 1,2,5 oxadiazole,7-fluoro-4-nitrobenzofurazan,7-fluoro-4-nitrobenzo-2-oxa-1,3-diazole,4-fluoro-7-nitrobenz-2-oxa-1,3-diazole,2,1,3-benzoxadiazole, 4-fluoro-7-nitro,nbd-fluoride,nbd-f cpd,4-fluoro-7-nitrobenzo c 1,2,5-oxadiazole |
| IUPAC Name | 4-fluoro-7-nitro-2,1,3-benzoxadiazole |
| InChI Key | PGZIDERTDJHJFY-UHFFFAOYSA-N |
| Molecular Formula | C6H2FN3O3 |
Thermo Scientific Chemicals HEPES sodium salt, 99%
CAS: 75277-39-3 Molecular Formula: C8H17N2NaO4S Molecular Weight (g/mol): 260.28 MDL Number: MFCD00036463 InChI Key: RDZTWEVXRGYCFV-UHFFFAOYSA-M Synonym: hepes sodium salt,hepes hemisodium salt,sodium 2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonate,unii-z9fto91o8a,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl-, monosodium salt,z9fto91o8a,sodium 4-2-hydroxyethyl piperazin-1-ylethanesulphonate,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid sodium salt,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid hemisodium salt PubChem CID: 2724248 ChEBI: CHEBI:46758 SMILES: [Na+].OCCN1CCN(CCS([O-])(=O)=O)CC1
| PubChem CID | 2724248 |
|---|---|
| CAS | 75277-39-3 |
| Molecular Weight (g/mol) | 260.28 |
| ChEBI | CHEBI:46758 |
| MDL Number | MFCD00036463 |
| SMILES | [Na+].OCCN1CCN(CCS([O-])(=O)=O)CC1 |
| Synonym | hepes sodium salt,hepes hemisodium salt,sodium 2-4-2-hydroxyethyl piperazin-1-yl ethanesulfonate,unii-z9fto91o8a,1-piperazineethanesulfonic acid, 4-2-hydroxyethyl-, monosodium salt,z9fto91o8a,sodium 4-2-hydroxyethyl piperazin-1-ylethanesulphonate,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid sodium salt,4-2-hydroxyethyl piperazine-1-ethanesulfonic acid hemisodium salt |
| InChI Key | RDZTWEVXRGYCFV-UHFFFAOYSA-M |
| Molecular Formula | C8H17N2NaO4S |
2-Mercaptopyridine-N-oxide, sodium salt hydrate, 98%
CAS: 207511-13-5 Molecular Formula: C5H4NNaOS Molecular Weight (g/mol): 149.14 MDL Number: MFCD00151244 InChI Key: WNGMMIYXPIAYOB-UHFFFAOYSA-M Synonym: sodium 2-mercaptopyridine n-oxide hydrate PubChem CID: 43835086 IUPAC Name: sodium;1-oxidopyridin-1-ium-2-thiolate;hydrate SMILES: [Na+].[O-][N+]1=CC=CC=C1[S-]
| PubChem CID | 43835086 |
|---|---|
| CAS | 207511-13-5 |
| Molecular Weight (g/mol) | 149.14 |
| MDL Number | MFCD00151244 |
| SMILES | [Na+].[O-][N+]1=CC=CC=C1[S-] |
| Synonym | sodium 2-mercaptopyridine n-oxide hydrate |
| IUPAC Name | sodium;1-oxidopyridin-1-ium-2-thiolate;hydrate |
| InChI Key | WNGMMIYXPIAYOB-UHFFFAOYSA-M |
| Molecular Formula | C5H4NNaOS |
2-Chloropyridine N-oxide hydrochloride, 97%
CAS: 20295-64-1 Molecular Formula: C5H5Cl2NO Molecular Weight (g/mol): 166.001 MDL Number: MFCD00007913 InChI Key: GRZNODNSNCXOHE-UHFFFAOYSA-N Synonym: 2-chloropyridine n-oxide hydrochloride,2-chloropyridine-n-oxide hydrochloride,2-chloropyridine 1-oxide hydrochloride,chloride 2-chloropyridinium 1-oxide,2-chloropyridine n-oxide hcl,pyridine, 2-chloro-, 1-oxide, hydrochloride,2-chloropyridin-1-ium-1-olate hydrochloride,2-chlorpyridin-1-oxidhydrochlorid,acmc-1ccui,2-chloropyridine n-oxide.hcl PubChem CID: 88478 IUPAC Name: 2-chloro-1-oxidopyridin-1-ium;hydrochloride SMILES: C1=CC=[N+](C(=C1)Cl)[O-].Cl
| PubChem CID | 88478 |
|---|---|
| CAS | 20295-64-1 |
| Molecular Weight (g/mol) | 166.001 |
| MDL Number | MFCD00007913 |
| SMILES | C1=CC=[N+](C(=C1)Cl)[O-].Cl |
| Synonym | 2-chloropyridine n-oxide hydrochloride,2-chloropyridine-n-oxide hydrochloride,2-chloropyridine 1-oxide hydrochloride,chloride 2-chloropyridinium 1-oxide,2-chloropyridine n-oxide hcl,pyridine, 2-chloro-, 1-oxide, hydrochloride,2-chloropyridin-1-ium-1-olate hydrochloride,2-chlorpyridin-1-oxidhydrochlorid,acmc-1ccui,2-chloropyridine n-oxide.hcl |
| IUPAC Name | 2-chloro-1-oxidopyridin-1-ium;hydrochloride |
| InChI Key | GRZNODNSNCXOHE-UHFFFAOYSA-N |
| Molecular Formula | C5H5Cl2NO |
2-Mercaptopyridine-N-oxide, 99%
CAS: 1121-31-9 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.16 MDL Number: MFCD00006196 InChI Key: YBBJKCMMCRQZMA-UHFFFAOYSA-N Synonym: pyrithione,2-mercaptopyridine n-oxide,2-mercaptopyridine-n-oxide,1-hydroxy-2-pyridinethione,omadine,2-pyridinethiol, 1-oxide,1-hydroxyl-1h-pyridine-2-thione,n-hydroxypyridine-2-thione,1-hydroxy-2 1h-pyridinethione,2-pyridinethiol 1-oxide PubChem CID: 1570 ChEBI: CHEBI:36578 IUPAC Name: 1-hydroxypyridine-2-thione SMILES: C1=CC(=S)N(C=C1)O
| PubChem CID | 1570 |
|---|---|
| CAS | 1121-31-9 |
| Molecular Weight (g/mol) | 127.16 |
| ChEBI | CHEBI:36578 |
| MDL Number | MFCD00006196 |
| SMILES | C1=CC(=S)N(C=C1)O |
| Synonym | pyrithione,2-mercaptopyridine n-oxide,2-mercaptopyridine-n-oxide,1-hydroxy-2-pyridinethione,omadine,2-pyridinethiol, 1-oxide,1-hydroxyl-1h-pyridine-2-thione,n-hydroxypyridine-2-thione,1-hydroxy-2 1h-pyridinethione,2-pyridinethiol 1-oxide |
| IUPAC Name | 1-hydroxypyridine-2-thione |
| InChI Key | YBBJKCMMCRQZMA-UHFFFAOYSA-N |
| Molecular Formula | C5H5NOS |
cis-4-Cyclohexene-1,2-dicarboxylic anhydride, 95%
CAS: 935-79-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00005916 InChI Key: KMOUUZVZFBCRAM-OLQVQODUSA-N Synonym: cis-1,2,3,6-tetrahydrophthalic anhydride,cis-4-cyclohexene-1,2-dicarboxylic anhydride,3ar,7as-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,unii-w9q4666nos,cis-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis,3ar,7as-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,tetrahydrophthalic anhydride, cis,3as,7ar-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione PubChem CID: 98495 IUPAC Name: (3aS,7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione SMILES: C1C=CCC2C1C(=O)OC2=O
| PubChem CID | 98495 |
|---|---|
| CAS | 935-79-5 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00005916 |
| SMILES | C1C=CCC2C1C(=O)OC2=O |
| Synonym | cis-1,2,3,6-tetrahydrophthalic anhydride,cis-4-cyclohexene-1,2-dicarboxylic anhydride,3ar,7as-rel-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,unii-w9q4666nos,cis-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, 3ar,7as-rel,1,3-isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis,3ar,7as-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione,tetrahydrophthalic anhydride, cis,3as,7ar-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione |
| IUPAC Name | (3aS,7aR)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione |
| InChI Key | KMOUUZVZFBCRAM-OLQVQODUSA-N |
| Molecular Formula | C8H8O3 |
Thermo Scientific Chemicals Meloxicam, 99-101%
CAS: 71125-38-7 Molecular Formula: C14H13N3O4S2 Molecular Weight (g/mol): 351.40 MDL Number: MFCD00868752 InChI Key: DWMREKMVXIFPFM-ACCUITESSA-N Synonym: meloxicam,mobic,metacam,movalis,meloxicamum,mobicox,mobec,meloxicam mobic,movatec,parocin PubChem CID: 54677470 ChEBI: CHEBI:6741 IUPAC Name: 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxamide SMILES: CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O
| PubChem CID | 54677470 |
|---|---|
| CAS | 71125-38-7 |
| Molecular Weight (g/mol) | 351.40 |
| ChEBI | CHEBI:6741 |
| MDL Number | MFCD00868752 |
| SMILES | CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O |
| Synonym | meloxicam,mobic,metacam,movalis,meloxicamum,mobicox,mobec,meloxicam mobic,movatec,parocin |
| IUPAC Name | 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,1-dioxo-1$l^{6},2-benzothiazine-3-carboxamide |
| InChI Key | DWMREKMVXIFPFM-ACCUITESSA-N |
| Molecular Formula | C14H13N3O4S2 |
2,4,6-Collidine, 99%
CAS: 108-75-8 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00006338 InChI Key: BWZVCCNYKMEVEX-UHFFFAOYSA-N Synonym: 2,4,6-collidine,gamma-collidine,s-collidine,pyridine, 2,4,6-trimethyl,collidine,sym-collidine,2,4,6-kollidin,unii-7ie4bk5j5v,2,4,6-trimethyl-pyridine,.gamma.-collidine PubChem CID: 7953 IUPAC Name: 2,4,6-trimethylpyridine SMILES: CC1=CC(C)=NC(C)=C1
| PubChem CID | 7953 |
|---|---|
| CAS | 108-75-8 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00006338 |
| SMILES | CC1=CC(C)=NC(C)=C1 |
| Synonym | 2,4,6-collidine,gamma-collidine,s-collidine,pyridine, 2,4,6-trimethyl,collidine,sym-collidine,2,4,6-kollidin,unii-7ie4bk5j5v,2,4,6-trimethyl-pyridine,.gamma.-collidine |
| IUPAC Name | 2,4,6-trimethylpyridine |
| InChI Key | BWZVCCNYKMEVEX-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
1-Ethyl-3-methylimidazolium methyl sulfate, 98%
CAS: 516474-01-4 Molecular Formula: C7H14N2O4S Molecular Weight (g/mol): 222.259 MDL Number: MFCD08457697 InChI Key: BXSDLSWVIAITRQ-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium methyl sulfate,1-ethyl-3-methylimidazolium methylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium methyl sulfate,1-ethyl-3-methylimidazolium methyl sulfate 1-,1-ethyl-3-methylimidazoliummethylsulfate,dsstox_cid_29266,dsstox_rid_83385,dsstox_gsid_49310,1-ethyl-3-methylimidazolium methylsul-fate,1-ethyl-3-methylimidazolium methyl sulfate hplc PubChem CID: 16211409 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;methyl sulfate SMILES: CCN1C=C[N+](=C1)C.COS(=O)(=O)[O-]
| PubChem CID | 16211409 |
|---|---|
| CAS | 516474-01-4 |
| Molecular Weight (g/mol) | 222.259 |
| MDL Number | MFCD08457697 |
| SMILES | CCN1C=C[N+](=C1)C.COS(=O)(=O)[O-] |
| Synonym | 1-ethyl-3-methylimidazolium methyl sulfate,1-ethyl-3-methylimidazolium methylsulfate,1-ethyl-3-methyl-1h-imidazol-3-ium methyl sulfate,1-ethyl-3-methylimidazolium methyl sulfate 1-,1-ethyl-3-methylimidazoliummethylsulfate,dsstox_cid_29266,dsstox_rid_83385,dsstox_gsid_49310,1-ethyl-3-methylimidazolium methylsul-fate,1-ethyl-3-methylimidazolium methyl sulfate hplc |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;methyl sulfate |
| InChI Key | BXSDLSWVIAITRQ-UHFFFAOYSA-M |
| Molecular Formula | C7H14N2O4S |
1,5-Pentamethylene-1H-tetrazole, 98%
CAS: 54-95-5 Molecular Formula: C6H10N4 Molecular Weight (g/mol): 138.174 MDL Number: MFCD00005939 InChI Key: CWRVKFFCRWGWCS-UHFFFAOYSA-N Synonym: pentylenetetrazol,pentylenetetrazole,pentetrazol,metrazole,cardiazol,cardiazole,cardiol,corazol,1,5-pentamethylenetetrazole,corazole PubChem CID: 5917 ChEBI: CHEBI:34910 IUPAC Name: 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine SMILES: C1CCC2=NN=NN2CC1
| PubChem CID | 5917 |
|---|---|
| CAS | 54-95-5 |
| Molecular Weight (g/mol) | 138.174 |
| ChEBI | CHEBI:34910 |
| MDL Number | MFCD00005939 |
| SMILES | C1CCC2=NN=NN2CC1 |
| Synonym | pentylenetetrazol,pentylenetetrazole,pentetrazol,metrazole,cardiazol,cardiazole,cardiol,corazol,1,5-pentamethylenetetrazole,corazole |
| IUPAC Name | 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine |
| InChI Key | CWRVKFFCRWGWCS-UHFFFAOYSA-N |
| Molecular Formula | C6H10N4 |
Thiophene, 99%
CAS: 110-02-1 Molecular Formula: C4H4S Molecular Weight (g/mol): 84.14 MDL Number: MFCD00005413 InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N Synonym: thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio PubChem CID: 8030 ChEBI: CHEBI:30856 IUPAC Name: thiophene SMILES: S1C=CC=C1
| PubChem CID | 8030 |
|---|---|
| CAS | 110-02-1 |
| Molecular Weight (g/mol) | 84.14 |
| ChEBI | CHEBI:30856 |
| MDL Number | MFCD00005413 |
| SMILES | S1C=CC=C1 |
| Synonym | thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio |
| IUPAC Name | thiophene |
| InChI Key | YTPLMLYBLZKORZ-UHFFFAOYSA-N |
| Molecular Formula | C4H4S |