Organoheterocyclic compounds
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Rhodanine-3-acetic acid, 98%
CAS: 5718-83-2 Molecular Formula: C5H5NO3S2 Molecular Weight (g/mol): 191.22 MDL Number: MFCD00005491 InChI Key: JGRMXPSUZIYDRR-UHFFFAOYSA-N Synonym: rhodanine-3-acetic acid,rhodanine-n-acetic acid,n-carboxymethylrhodanine,3-rhodanineacetic acid,3-thiazolidineacetic acid, 4-oxo-2-thioxo,3-carboxymethyl rhodanine,n-carboxymethyl rhodanine,2-4-oxo-2-thioxothiazolidin-3-yl acetic acid,4-oxo-2-thioxo-3-thiazolidineacetic acid,4-oxo-2-thioxo-3-thiazolidinylacetic acid PubChem CID: 79793 IUPAC Name: 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid SMILES: OC(=O)CN1C(=O)CSC1=S
| PubChem CID | 79793 |
|---|---|
| CAS | 5718-83-2 |
| Molecular Weight (g/mol) | 191.22 |
| MDL Number | MFCD00005491 |
| SMILES | OC(=O)CN1C(=O)CSC1=S |
| Synonym | rhodanine-3-acetic acid,rhodanine-n-acetic acid,n-carboxymethylrhodanine,3-rhodanineacetic acid,3-thiazolidineacetic acid, 4-oxo-2-thioxo,3-carboxymethyl rhodanine,n-carboxymethyl rhodanine,2-4-oxo-2-thioxothiazolidin-3-yl acetic acid,4-oxo-2-thioxo-3-thiazolidineacetic acid,4-oxo-2-thioxo-3-thiazolidinylacetic acid |
| IUPAC Name | 2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid |
| InChI Key | JGRMXPSUZIYDRR-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO3S2 |
2-Mercaptothiazoline, 98%
CAS: 96-53-7 Molecular Formula: C3H5NS2 Molecular Weight (g/mol): 119.21 MDL Number: MFCD00126013 InChI Key: WGJCBBASTRWVJL-UHFFFAOYSA-N Synonym: 2-mercaptothiazoline,2-thiazolidinethione,2-thiazoline-2-thiol,thiazolidine-2-thione,metabasal,thyroidan,2-mercapto-2-thiazoline,mercaptothiazoline,2-thiothiazolidone,2-thiazolidenethione PubChem CID: 2723699 IUPAC Name: 1,3-thiazolidine-2-thione SMILES: C1CSC(=S)N1
| PubChem CID | 2723699 |
|---|---|
| CAS | 96-53-7 |
| Molecular Weight (g/mol) | 119.21 |
| MDL Number | MFCD00126013 |
| SMILES | C1CSC(=S)N1 |
| Synonym | 2-mercaptothiazoline,2-thiazolidinethione,2-thiazoline-2-thiol,thiazolidine-2-thione,metabasal,thyroidan,2-mercapto-2-thiazoline,mercaptothiazoline,2-thiothiazolidone,2-thiazolidenethione |
| IUPAC Name | 1,3-thiazolidine-2-thione |
| InChI Key | WGJCBBASTRWVJL-UHFFFAOYSA-N |
| Molecular Formula | C3H5NS2 |
2-Imidazolidone hemihydrate, 99+%
CAS: 121325-67-5 Molecular Formula: C6H14N4O3 Molecular Weight (g/mol): 190.20 MDL Number: MFCD02662355 InChI Key: KPRJGGOOWATRNT-UHFFFAOYSA-N Synonym: imidazolidin-2-one hydrate,2-imidazolidinone hemihydrate,2-imidazolidone hemihydrate,bis imidazolidin-2-one hydrate,bis imidazolidinone hydrate,2-imidazolidinone, hydrate 2:1,imidazolidin-2-one, imidazolidin-2-one, hydrate PubChem CID: 2723651 IUPAC Name: imidazolidin-2-one;hydrate SMILES: O.O=C1NCCN1.O=C1NCCN1
| PubChem CID | 2723651 |
|---|---|
| CAS | 121325-67-5 |
| Molecular Weight (g/mol) | 190.20 |
| MDL Number | MFCD02662355 |
| SMILES | O.O=C1NCCN1.O=C1NCCN1 |
| Synonym | imidazolidin-2-one hydrate,2-imidazolidinone hemihydrate,2-imidazolidone hemihydrate,bis imidazolidin-2-one hydrate,bis imidazolidinone hydrate,2-imidazolidinone, hydrate 2:1,imidazolidin-2-one, imidazolidin-2-one, hydrate |
| IUPAC Name | imidazolidin-2-one;hydrate |
| InChI Key | KPRJGGOOWATRNT-UHFFFAOYSA-N |
| Molecular Formula | C6H14N4O3 |
2-Thiohydantoin, 98%
CAS: 503-87-7 Molecular Formula: C3H4N2OS Molecular Weight (g/mol): 116.14 MDL Number: MFCD00005277 InChI Key: UGWULZWUXSCWPX-UHFFFAOYSA-N Synonym: 2-thiohydantoin,thiohydantoin,4-imidazolidinone, 2-thioxo,2-thioxoimidazolidin-4-one,2-thioguidanthion,hydantoin, 2-thio,usaf be-25,2-thioxo-4-imidazolidinone,2-thioxo-1,3-diazolidin-4-one,glycine thiohydantoin PubChem CID: 1274030 IUPAC Name: 2-sulfanylideneimidazolidin-4-one SMILES: O=C1CNC(=S)N1
| PubChem CID | 1274030 |
|---|---|
| CAS | 503-87-7 |
| Molecular Weight (g/mol) | 116.14 |
| MDL Number | MFCD00005277 |
| SMILES | O=C1CNC(=S)N1 |
| Synonym | 2-thiohydantoin,thiohydantoin,4-imidazolidinone, 2-thioxo,2-thioxoimidazolidin-4-one,2-thioguidanthion,hydantoin, 2-thio,usaf be-25,2-thioxo-4-imidazolidinone,2-thioxo-1,3-diazolidin-4-one,glycine thiohydantoin |
| IUPAC Name | 2-sulfanylideneimidazolidin-4-one |
| InChI Key | UGWULZWUXSCWPX-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2OS |
10058-F4
CAS: 403811-55-2 Molecular Formula: C12H11NOS2 Molecular Weight (g/mol): 249.346 MDL Number: MFCD00758517 InChI Key: SVXDHPADAXBMFB-JXMROGBWSA-N Synonym: c-myc inhibitor,5e-5-4-ethylbenzylidene-2-mercapto-1,3-thiazol-4 5h-one,5-4-ethylphenyl methylene-2-thioxo-4-thiazolidinone,e-5-4-ethylbenzylidene-2-mercaptothiazol-4 5h-one,z,e-5-4-ethylbenzylidine-2-thioxothiazolidin-4-one,5e-5-4-ethylphenyl methylidene-2-sulfanyl-1,3-thiazol-4-one,5e-5-4-ethylphenyl methylidene-2-sulfanylidene-1,3-thiazolidin-4-one,10058-f hplc , solid PubChem CID: 1271002 IUPAC Name: (5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one SMILES: CCC1=CC=C(C=C1)C=C2C(=O)NC(=S)S2
| PubChem CID | 1271002 |
|---|---|
| CAS | 403811-55-2 |
| Molecular Weight (g/mol) | 249.346 |
| MDL Number | MFCD00758517 |
| SMILES | CCC1=CC=C(C=C1)C=C2C(=O)NC(=S)S2 |
| Synonym | c-myc inhibitor,5e-5-4-ethylbenzylidene-2-mercapto-1,3-thiazol-4 5h-one,5-4-ethylphenyl methylene-2-thioxo-4-thiazolidinone,e-5-4-ethylbenzylidene-2-mercaptothiazol-4 5h-one,z,e-5-4-ethylbenzylidine-2-thioxothiazolidin-4-one,5e-5-4-ethylphenyl methylidene-2-sulfanyl-1,3-thiazol-4-one,5e-5-4-ethylphenyl methylidene-2-sulfanylidene-1,3-thiazolidin-4-one,10058-f hplc , solid |
| IUPAC Name | (5E)-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI Key | SVXDHPADAXBMFB-JXMROGBWSA-N |
| Molecular Formula | C12H11NOS2 |
Aripiprazole
CAS: 129722-12-9 Molecular Formula: C23H27Cl2N3O2 Molecular Weight (g/mol): 448.39 InChI Key: CEUORZQYGODEFX-UHFFFAOYSA-N Synonym: aripiprazole,abilify,abilitat,abilify discmelt,discmelt,aripiprazol,opc 31,aripiprazole usan,aripiprazolum,aripirazole PubChem CID: 60795 ChEBI: CHEBI:31236 IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
| PubChem CID | 60795 |
|---|---|
| CAS | 129722-12-9 |
| Molecular Weight (g/mol) | 448.39 |
| ChEBI | CHEBI:31236 |
| SMILES | C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl |
| Synonym | aripiprazole,abilify,abilitat,abilify discmelt,discmelt,aripiprazol,opc 31,aripiprazole usan,aripiprazolum,aripirazole |
| IUPAC Name | 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one |
| InChI Key | CEUORZQYGODEFX-UHFFFAOYSA-N |
| Molecular Formula | C23H27Cl2N3O2 |
Difloxacin hydrochloride
CAS: 91296-86-5 Molecular Formula: C21H20ClF2N3O3 Molecular Weight (g/mol): 435.856 MDL Number: MFCD03840489 InChI Key: JFMGBGLSDVIOHL-UHFFFAOYSA-N Synonym: difloxacin hydrochloride,difloxacin hcl,unii-xj0260hj0o,abbott-56619,6-fluoro-1-4-fluorophenyl-7-4-methylpiperazin-1-yl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride,difloxacin hydrochloride usan,dsstox_cid_26599,dsstox_rid_81754,dsstox_gsid_46599 PubChem CID: 56205 IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride SMILES: CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
| PubChem CID | 56205 |
|---|---|
| CAS | 91296-86-5 |
| Molecular Weight (g/mol) | 435.856 |
| MDL Number | MFCD03840489 |
| SMILES | CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl |
| Synonym | difloxacin hydrochloride,difloxacin hcl,unii-xj0260hj0o,abbott-56619,6-fluoro-1-4-fluorophenyl-7-4-methylpiperazin-1-yl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride,difloxacin hydrochloride usan,dsstox_cid_26599,dsstox_rid_81754,dsstox_gsid_46599 |
| IUPAC Name | 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride |
| InChI Key | JFMGBGLSDVIOHL-UHFFFAOYSA-N |
| Molecular Formula | C21H20ClF2N3O3 |
1,3-bis(2,4,6-trimethylphenyl)imidazolidinium chloride, 97%
CAS: 173035-10-4 Molecular Formula: C21H27ClN2 Molecular Weight (g/mol): 342.91 MDL Number: MFCD09039279 InChI Key: COGMCBFILULEOS-UHFFFAOYSA-M Synonym: 1,3-dimesitylimidazolidine hydrochloride,1,3-bis 2,4,6-trimethylphenyl-imidazolidinium-chloride,1,3-dimesitylimidazolidine, chloride salt,1,3-bis-2,4,6-trimethyl-phenyl-imidazolidin-1-ium chloride,1,3-bis 2,4,6-trimethylphenyl imidazolidine hydrochloride IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-3H-1λ⁵-imidazol-1-ylium chloride SMILES: [Cl-].CC1=CC(C)=C(N2CC[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1
| CAS | 173035-10-4 |
|---|---|
| Molecular Weight (g/mol) | 342.91 |
| MDL Number | MFCD09039279 |
| SMILES | [Cl-].CC1=CC(C)=C(N2CC[N+](=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1 |
| Synonym | 1,3-dimesitylimidazolidine hydrochloride,1,3-bis 2,4,6-trimethylphenyl-imidazolidinium-chloride,1,3-dimesitylimidazolidine, chloride salt,1,3-bis-2,4,6-trimethyl-phenyl-imidazolidin-1-ium chloride,1,3-bis 2,4,6-trimethylphenyl imidazolidine hydrochloride |
| IUPAC Name | 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-3H-1λ⁵-imidazol-1-ylium chloride |
| InChI Key | COGMCBFILULEOS-UHFFFAOYSA-M |
| Molecular Formula | C21H27ClN2 |
tert-Butyl (S)-(-)-4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate, 95%, Thermo Scientific Chemicals
CAS: 102308-32-7 Molecular Formula: C11H19NO4 Molecular Weight (g/mol): 229.28 MDL Number: MFCD00209557 InChI Key: PNJXYVJNOCLJLJ-MRVPVSSYSA-N Synonym: s---3-boc-2,2-dimethyloxazolidine-4-carboxaldehyde,tert-butyl s---4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate,tert-butyl 4s-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate,unii-41aj913hqi,s-tert-butyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylate,1,1-dimethylethyl-s-4-formyl-2,2-dimethyl-3-oxazolidine carboxylate,s---3-tert-butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine,s-4-formyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester,3-oxazolidinecarboxylic acid, 4-formyl-2,2-dimethyl-, 1,1-dimethylethyl ester, 4s,s---3-boc-4-formyl-2,2-dimethyl-1,3-oxazolidine PubChem CID: 179824 IUPAC Name: tert-butyl (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate SMILES: CC1(N(C(CO1)C=O)C(=O)OC(C)(C)C)C
| PubChem CID | 179824 |
|---|---|
| CAS | 102308-32-7 |
| Molecular Weight (g/mol) | 229.28 |
| MDL Number | MFCD00209557 |
| SMILES | CC1(N(C(CO1)C=O)C(=O)OC(C)(C)C)C |
| Synonym | s---3-boc-2,2-dimethyloxazolidine-4-carboxaldehyde,tert-butyl s---4-formyl-2,2-dimethyl-3-oxazolidinecarboxylate,tert-butyl 4s-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate,unii-41aj913hqi,s-tert-butyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylate,1,1-dimethylethyl-s-4-formyl-2,2-dimethyl-3-oxazolidine carboxylate,s---3-tert-butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine,s-4-formyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester,3-oxazolidinecarboxylic acid, 4-formyl-2,2-dimethyl-, 1,1-dimethylethyl ester, 4s,s---3-boc-4-formyl-2,2-dimethyl-1,3-oxazolidine |
| IUPAC Name | tert-butyl (4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate |
| InChI Key | PNJXYVJNOCLJLJ-MRVPVSSYSA-N |
| Molecular Formula | C11H19NO4 |
4,7-Dimethyl-1,10-phenanthroline, 98%
CAS: 3248-05-3 Molecular Formula: C14H12N2 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00004979 InChI Key: JIVLDFFWTQYGSR-UHFFFAOYSA-N Synonym: 4,7-dimethyl-o-phenanthroline,1,10-phenanthroline, 4,7-dimethyl,4,7-dimethyl-1,10 phenanthroline,4,7-dimethylpyridino 3,2-h quinoline,acmc-1cjn6,bis 5-chlorophenyl acetic acid,4,7-dimethyl-1,9-phenanthroline,1,10-phenanthroline, 4,7-dimethyl-, hydrate PubChem CID: 72792 IUPAC Name: 4,7-dimethyl-1,10-phenanthroline SMILES: CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C
| PubChem CID | 72792 |
|---|---|
| CAS | 3248-05-3 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00004979 |
| SMILES | CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C |
| Synonym | 4,7-dimethyl-o-phenanthroline,1,10-phenanthroline, 4,7-dimethyl,4,7-dimethyl-1,10 phenanthroline,4,7-dimethylpyridino 3,2-h quinoline,acmc-1cjn6,bis 5-chlorophenyl acetic acid,4,7-dimethyl-1,9-phenanthroline,1,10-phenanthroline, 4,7-dimethyl-, hydrate |
| IUPAC Name | 4,7-dimethyl-1,10-phenanthroline |
| InChI Key | JIVLDFFWTQYGSR-UHFFFAOYSA-N |
| Molecular Formula | C14H12N2 |
1,10-Phenanthroline, Monohydrate, ACS, Spectrum™ Chemical
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CAS: 5144-89-8
| CAS | 5144-89-8 |
|---|
1,10-Phenanthroline iron(II) perchlorate, Thermo Scientific Chemicals
CAS: 14586-54-0 Molecular Formula: C36H24Cl2FeN6O8 Molecular Weight (g/mol): 795.367 MDL Number: MFCD00050959 InChI Key: QIZDTKUCQUZJHS-UHFFFAOYSA-L Synonym: 1,10-phenanthroline ferrous perchlorate,iron 2+ ; 1,10-phenanthroline; diperchlorate,iron 2+ perchlorate 1,10-phenanthroline 1:2:3,iron 2+ , tris 1,10-phenanthroline-.kappa.n1,.kappa.n10-, oc-6-11-, diperchlorate,tris 1,10-phenanthroline-n1,n10 iron diperchlorate,3c12h8n2.2clo4.fe,iron 2+ , tris 1,10-phenanthroline-kappan1,kappan10-, oc-6-11-, diperchlorate,iron 2+ , tris 1,10-phenanthroline-kappan1,kappan10-, oc-6-11-, perchlorate 1:2,iron 2+ , tris 1,10-phenanthroline-.kappa.n1,.kappa.n10-, oc-6-11-, perchlorate 1:2 PubChem CID: 84537 IUPAC Name: iron(2+);1,10-phenanthroline;diperchlorate SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2]
| PubChem CID | 84537 |
|---|---|
| CAS | 14586-54-0 |
| Molecular Weight (g/mol) | 795.367 |
| MDL Number | MFCD00050959 |
| SMILES | C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Fe+2] |
| Synonym | 1,10-phenanthroline ferrous perchlorate,iron 2+ ; 1,10-phenanthroline; diperchlorate,iron 2+ perchlorate 1,10-phenanthroline 1:2:3,iron 2+ , tris 1,10-phenanthroline-.kappa.n1,.kappa.n10-, oc-6-11-, diperchlorate,tris 1,10-phenanthroline-n1,n10 iron diperchlorate,3c12h8n2.2clo4.fe,iron 2+ , tris 1,10-phenanthroline-kappan1,kappan10-, oc-6-11-, diperchlorate,iron 2+ , tris 1,10-phenanthroline-kappan1,kappan10-, oc-6-11-, perchlorate 1:2,iron 2+ , tris 1,10-phenanthroline-.kappa.n1,.kappa.n10-, oc-6-11-, perchlorate 1:2 |
| IUPAC Name | iron(2+);1,10-phenanthroline;diperchlorate |
| InChI Key | QIZDTKUCQUZJHS-UHFFFAOYSA-L |
| Molecular Formula | C36H24Cl2FeN6O8 |
Thieno[3,2-b]thiophene, 97%
CAS: 251-41-2 Molecular Formula: C6H4S2 Molecular Weight (g/mol): 140.218 MDL Number: MFCD00179479 InChI Key: VJYJJHQEVLEOFL-UHFFFAOYSA-N Synonym: thieno 3,2-b thiophene,1,4-dithiapentalene,thienothiophene,1,4-thiophthene,pubchem21292,acmc-209ghi,thieno 3,2-b thiophen,thieno 3,2-b-thiophene PubChem CID: 136063 IUPAC Name: thieno[3,2-b]thiophene SMILES: C1=CSC2=C1SC=C2
| PubChem CID | 136063 |
|---|---|
| CAS | 251-41-2 |
| Molecular Weight (g/mol) | 140.218 |
| MDL Number | MFCD00179479 |
| SMILES | C1=CSC2=C1SC=C2 |
| Synonym | thieno 3,2-b thiophene,1,4-dithiapentalene,thienothiophene,1,4-thiophthene,pubchem21292,acmc-209ghi,thieno 3,2-b thiophen,thieno 3,2-b-thiophene |
| IUPAC Name | thieno[3,2-b]thiophene |
| InChI Key | VJYJJHQEVLEOFL-UHFFFAOYSA-N |
| Molecular Formula | C6H4S2 |