Organoheterocyclic compounds
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Pyridinium p-toluenesulfonate, 98%
CAS: 24057-28-1 Molecular Formula: C12H13NO3S Molecular Weight (g/mol): 251.3 MDL Number: MFCD00013108 Synonym: pyridinium p-toluenesulfonate,ppts,pyridin-1-ium 4-methylbenzenesulfonate,pyridinium 4-toluenesulfonate,pyridinium tosylate,pyridinium 4-methylbenzenesulfonate,pyridinium p-toluene sulfonate,pyridinium p-toluene sulphonate,pyridinium para-toluenesulfonate,4-toluenesulfonic acid pyridine salt
| CAS | 24057-28-1 |
|---|---|
| Molecular Weight (g/mol) | 251.3 |
| MDL Number | MFCD00013108 |
| Synonym | pyridinium p-toluenesulfonate,ppts,pyridin-1-ium 4-methylbenzenesulfonate,pyridinium 4-toluenesulfonate,pyridinium tosylate,pyridinium 4-methylbenzenesulfonate,pyridinium p-toluene sulfonate,pyridinium p-toluene sulphonate,pyridinium para-toluenesulfonate,4-toluenesulfonic acid pyridine salt |
| Molecular Formula | C12H13NO3S |
3-Amino-1,2,4-triazine, 97%
CAS: 1120-99-6 Molecular Formula: C3H4N4 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00006459 InChI Key: MJIWQHRXSLOUJN-UHFFFAOYSA-N Synonym: 3-amino-1,2,4-triazine,as-triazine, 3-amino,3-amino-as-triazine,1,2,4-triazin-3-ylamine,1,2,4-triazine-3-ylamine,1,2,4 triazin-3-ylamine,zlchem 1277,1,2,4-triazine-3-amine,3-amino-1,2,4,-triazine PubChem CID: 70715 IUPAC Name: 1,2,4-triazin-3-amine SMILES: C1=CN=NC(=N1)N
| PubChem CID | 70715 |
|---|---|
| CAS | 1120-99-6 |
| Molecular Weight (g/mol) | 96.09 |
| MDL Number | MFCD00006459 |
| SMILES | C1=CN=NC(=N1)N |
| Synonym | 3-amino-1,2,4-triazine,as-triazine, 3-amino,3-amino-as-triazine,1,2,4-triazin-3-ylamine,1,2,4-triazine-3-ylamine,1,2,4 triazin-3-ylamine,zlchem 1277,1,2,4-triazine-3-amine,3-amino-1,2,4,-triazine |
| IUPAC Name | 1,2,4-triazin-3-amine |
| InChI Key | MJIWQHRXSLOUJN-UHFFFAOYSA-N |
| Molecular Formula | C3H4N4 |
Thiochroman-4-one, 98%
CAS: 3528-17-4 Molecular Formula: C9H8OS Molecular Weight (g/mol): 164.22 MDL Number: MFCD00006882 InChI Key: CVQSWZMJOGOPAV-UHFFFAOYSA-N Synonym: thiochroman-4-one,4h-1-benzothiopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-thiochromen-4-one,3,4-dihydro-2h-1-benzothiopyran-4-one,4h-1-benzothiopyran-4-one,3-dihydro,2,3-dihydro-1-benzothiopyran-4-one,4-thiochromanone,thiochroman-4-on,1-thiochroman-4-one PubChem CID: 19048 IUPAC Name: 2,3-dihydrothiochromen-4-one SMILES: C1CSC2=CC=CC=C2C1=O
| PubChem CID | 19048 |
|---|---|
| CAS | 3528-17-4 |
| Molecular Weight (g/mol) | 164.22 |
| MDL Number | MFCD00006882 |
| SMILES | C1CSC2=CC=CC=C2C1=O |
| Synonym | thiochroman-4-one,4h-1-benzothiopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-thiochromen-4-one,3,4-dihydro-2h-1-benzothiopyran-4-one,4h-1-benzothiopyran-4-one,3-dihydro,2,3-dihydro-1-benzothiopyran-4-one,4-thiochromanone,thiochroman-4-on,1-thiochroman-4-one |
| IUPAC Name | 2,3-dihydrothiochromen-4-one |
| InChI Key | CVQSWZMJOGOPAV-UHFFFAOYSA-N |
| Molecular Formula | C9H8OS |
2,3-Dihydrofuran, 98+%
CAS: 1191-99-7 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00003205 InChI Key: JKTCBAGSMQIFNL-UHFFFAOYSA-N PubChem CID: 70934 ChEBI: CHEBI:51662 IUPAC Name: 2,3-dihydrofuran SMILES: C1CC=CO1
| PubChem CID | 70934 |
|---|---|
| CAS | 1191-99-7 |
| Molecular Weight (g/mol) | 70.09 |
| ChEBI | CHEBI:51662 |
| MDL Number | MFCD00003205 |
| SMILES | C1CC=CO1 |
| IUPAC Name | 2,3-dihydrofuran |
| InChI Key | JKTCBAGSMQIFNL-UHFFFAOYSA-N |
| Molecular Formula | C4H6O |
1-n-Hexyl-3-methylimidazolium chloride, 98%
CAS: 171058-17-6 Molecular Formula: C10H19N2 Molecular Weight (g/mol): 167.28 MDL Number: MFCD03093289 InChI Key: RVEJOWGVUQQIIZ-UHFFFAOYSA-N Synonym: 1-hexyl-3-methylimidazolium chloride,hmimcl,1-hexyl-3-methyl-1h-imidazol-3-ium chloride,1-hexyl-3-methylimidazol-3-ium chloride,hmim cl,acmc-209e2c,dsstox_cid_27924,dsstox_rid_82677,dsstox_gsid_47948,ksc491c7f PubChem CID: 2734163 ChEBI: CHEBI:61340 IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;chloride SMILES: CCCCCC[N+]1=CN(C)C=C1
| PubChem CID | 2734163 |
|---|---|
| CAS | 171058-17-6 |
| Molecular Weight (g/mol) | 167.28 |
| ChEBI | CHEBI:61340 |
| MDL Number | MFCD03093289 |
| SMILES | CCCCCC[N+]1=CN(C)C=C1 |
| Synonym | 1-hexyl-3-methylimidazolium chloride,hmimcl,1-hexyl-3-methyl-1h-imidazol-3-ium chloride,1-hexyl-3-methylimidazol-3-ium chloride,hmim cl,acmc-209e2c,dsstox_cid_27924,dsstox_rid_82677,dsstox_gsid_47948,ksc491c7f |
| IUPAC Name | 1-hexyl-3-methylimidazol-3-ium;chloride |
| InChI Key | RVEJOWGVUQQIIZ-UHFFFAOYSA-N |
| Molecular Formula | C10H19N2 |
2-Amino-5-phenyl-1,3,4-thiadiazole, 97%
CAS: 2002-03-1 Molecular Formula: C7H6N4S Molecular Weight (g/mol): 178.21 MDL Number: MFCD00205278 InChI Key: KTWDTPBHCWJWGJ-UHFFFAOYSA-N Synonym: 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine,2-amino-5-4-pyridyl-1,3,4-thiadiazole,2-amino-5-4-pyridinyl-1,3,4-thiadiazole,5-4-pyridyl-1,3,4-thiadiazol-2-amine,5-pyridin-4-yl-1,3,4 thiadiazol-2-ylamine,2-amino-5-pyridin-4-yl-1,3,4-thiadiazole,pyridine, 4-2-amino-1,3,4-thiadiazol-5-yl,4-2-amino-1,3,4-thiadiazol-5-yl pyridine,2-amino-5-4-piridil-1,3,4-tiadiazolo,5-4-pyridyl-1,3,4-thiazol-2-yl-amine PubChem CID: 121269 IUPAC Name: 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine SMILES: C1=CN=CC=C1C2=NN=C(S2)N
| PubChem CID | 121269 |
|---|---|
| CAS | 2002-03-1 |
| Molecular Weight (g/mol) | 178.21 |
| MDL Number | MFCD00205278 |
| SMILES | C1=CN=CC=C1C2=NN=C(S2)N |
| Synonym | 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine,2-amino-5-4-pyridyl-1,3,4-thiadiazole,2-amino-5-4-pyridinyl-1,3,4-thiadiazole,5-4-pyridyl-1,3,4-thiadiazol-2-amine,5-pyridin-4-yl-1,3,4 thiadiazol-2-ylamine,2-amino-5-pyridin-4-yl-1,3,4-thiadiazole,pyridine, 4-2-amino-1,3,4-thiadiazol-5-yl,4-2-amino-1,3,4-thiadiazol-5-yl pyridine,2-amino-5-4-piridil-1,3,4-tiadiazolo,5-4-pyridyl-1,3,4-thiazol-2-yl-amine |
| IUPAC Name | 5-pyridin-4-yl-1,3,4-thiadiazol-2-amine |
| InChI Key | KTWDTPBHCWJWGJ-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4S |
Imidazole, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1H-imidazole SMILES: N1C=CN=C1
| PubChem CID | 795 |
|---|---|
| CAS | 288-32-4 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:16069 |
| MDL Number | MFCD00005183 |
| SMILES | N1C=CN=C1 |
| Synonym | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
| IUPAC Name | 1H-imidazole |
| InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
2-Phenylbenzoxazole, 99%
CAS: 833-50-1 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 MDL Number: MFCD00012183 InChI Key: FIISKTXZUZBTRC-UHFFFAOYSA-N Synonym: 2-phenylbenzoxazole,2-phenylbenzo d oxazole,benzoxazole, 2-phenyl,ccris 7874,phenyl-2 benzoxazole french,2-phenyl-benzoxazole,phenyl-2 benzoxazole,2-phenybenzoxazole,2-phenyl benzoxazole,2-phenyl-benzooxazole PubChem CID: 70030 IUPAC Name: 2-phenyl-1,3-benzoxazole SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
| PubChem CID | 70030 |
|---|---|
| CAS | 833-50-1 |
| Molecular Weight (g/mol) | 195.221 |
| MDL Number | MFCD00012183 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2 |
| Synonym | 2-phenylbenzoxazole,2-phenylbenzo d oxazole,benzoxazole, 2-phenyl,ccris 7874,phenyl-2 benzoxazole french,2-phenyl-benzoxazole,phenyl-2 benzoxazole,2-phenybenzoxazole,2-phenyl benzoxazole,2-phenyl-benzooxazole |
| IUPAC Name | 2-phenyl-1,3-benzoxazole |
| InChI Key | FIISKTXZUZBTRC-UHFFFAOYSA-N |
| Molecular Formula | C13H9NO |
5-Methylisophthalic acid, 98%
CAS: 499-49-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00013986 InChI Key: PMZBHPUNQNKBOA-UHFFFAOYSA-N Synonym: 5-methylisophthalic acid,uvitic acid,5-methyl-1,3-benzenedicarboxylic acid,isophthalic acid, 5-methyl,1,3-benzenedicarboxylic acid, 5-methyl,uvitinsaure,3,5-dicarboxytoluene,5-methylisophthalicacid,acmc-209kj2,ksc237e4t PubChem CID: 68137 IUPAC Name: 5-methylbenzene-1,3-dicarboxylic acid SMILES: CC1=CC(=CC(=C1)C(=O)O)C(=O)O
| PubChem CID | 68137 |
|---|---|
| CAS | 499-49-0 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00013986 |
| SMILES | CC1=CC(=CC(=C1)C(=O)O)C(=O)O |
| Synonym | 5-methylisophthalic acid,uvitic acid,5-methyl-1,3-benzenedicarboxylic acid,isophthalic acid, 5-methyl,1,3-benzenedicarboxylic acid, 5-methyl,uvitinsaure,3,5-dicarboxytoluene,5-methylisophthalicacid,acmc-209kj2,ksc237e4t |
| IUPAC Name | 5-methylbenzene-1,3-dicarboxylic acid |
| InChI Key | PMZBHPUNQNKBOA-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
Butadiene sulfone, 98%
CAS: 77-79-2 Molecular Formula: C4H6O2S Molecular Weight (g/mol): 118.16 MDL Number: MFCD00005481 InChI Key: MBDNRNMVTZADMQ-UHFFFAOYSA-N Synonym: 3-sulfolene,butadiene sulfone,sulfolene,thiophene, 2,5-dihydro-, 1,1-dioxide,beta-sulfolene,2,5-dihydrothiophene sulfone,2,5-dihydrothiophene dioxide,2,5-dihydrothiophene-1,1-dioxide,sulfol-3-ene,ccris 569 PubChem CID: 6498 IUPAC Name: 2,5-dihydrothiophene 1,1-dioxide SMILES: C1C=CCS1(=O)=O
| PubChem CID | 6498 |
|---|---|
| CAS | 77-79-2 |
| Molecular Weight (g/mol) | 118.16 |
| MDL Number | MFCD00005481 |
| SMILES | C1C=CCS1(=O)=O |
| Synonym | 3-sulfolene,butadiene sulfone,sulfolene,thiophene, 2,5-dihydro-, 1,1-dioxide,beta-sulfolene,2,5-dihydrothiophene sulfone,2,5-dihydrothiophene dioxide,2,5-dihydrothiophene-1,1-dioxide,sulfol-3-ene,ccris 569 |
| IUPAC Name | 2,5-dihydrothiophene 1,1-dioxide |
| InChI Key | MBDNRNMVTZADMQ-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2S |
Thermo Scientific Chemicals 4-Thiouracil, 97%
CAS: 591-28-6 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00090842 InChI Key: OVONXEQGWXGFJD-UHFFFAOYSA-N Synonym: 4-thiouracil,2-hydroxy-4 1h-pyrimidinethione,4-thioxo-3,4-dihydropyrimidin-2 1h-one,2-hydroxy-4-mercaptopyrimidine,uracil, 4-thio,4-mercaptopyrimidin-2-ol,4-sulfanylpyrimidin-2-ol,2-hydroxy-4-thiopyrimidine,2 1h-pyrimidinone, 3,4-dihydro-4-thioxo,2 1h-pyrimidinone, 4-mercapto-9ci PubChem CID: 2734394 IUPAC Name: 4-sulfanylidene-1H-pyrimidin-2-one SMILES: O=C1NC=CC(=S)N1
| PubChem CID | 2734394 |
|---|---|
| CAS | 591-28-6 |
| Molecular Weight (g/mol) | 128.15 |
| MDL Number | MFCD00090842 |
| SMILES | O=C1NC=CC(=S)N1 |
| Synonym | 4-thiouracil,2-hydroxy-4 1h-pyrimidinethione,4-thioxo-3,4-dihydropyrimidin-2 1h-one,2-hydroxy-4-mercaptopyrimidine,uracil, 4-thio,4-mercaptopyrimidin-2-ol,4-sulfanylpyrimidin-2-ol,2-hydroxy-4-thiopyrimidine,2 1h-pyrimidinone, 3,4-dihydro-4-thioxo,2 1h-pyrimidinone, 4-mercapto-9ci |
| IUPAC Name | 4-sulfanylidene-1H-pyrimidin-2-one |
| InChI Key | OVONXEQGWXGFJD-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2OS |
2-Chloro-6-methylpyrimidine-4,5-diamine, ≥95%, Thermo Scientific™
CAS: 63211-98-3 Molecular Formula: C5H7ClN4 Molecular Weight (g/mol): 158.59 MDL Number: MFCD01764685 InChI Key: KSGKEVCHVYUUDN-UHFFFAOYSA-N Synonym: 2-chloro-4,5-diamino-6-methylpyrimidine,4,5-diamino-2-chloro-6-methylpyrimidine,2-chloro-6-methyl-pyrimidine-4,5-diamine,2-chloranyl-6-methyl-pyrimidine-4,5-diamine PubChem CID: 275295 IUPAC Name: 2-chloro-6-methylpyrimidine-4,5-diamine SMILES: CC1=NC(Cl)=NC(N)=C1N
| PubChem CID | 275295 |
|---|---|
| CAS | 63211-98-3 |
| Molecular Weight (g/mol) | 158.59 |
| MDL Number | MFCD01764685 |
| SMILES | CC1=NC(Cl)=NC(N)=C1N |
| Synonym | 2-chloro-4,5-diamino-6-methylpyrimidine,4,5-diamino-2-chloro-6-methylpyrimidine,2-chloro-6-methyl-pyrimidine-4,5-diamine,2-chloranyl-6-methyl-pyrimidine-4,5-diamine |
| IUPAC Name | 2-chloro-6-methylpyrimidine-4,5-diamine |
| InChI Key | KSGKEVCHVYUUDN-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClN4 |
3-(4-chlorophenyl)-1H-pyrazol-5-amine, 97%, Thermo Scientific™
CAS: 78583-81-0 Molecular Formula: C9H8ClN3 Molecular Weight (g/mol): 193.63 MDL Number: MFCD00053046 InChI Key: XQPBZIITFQHIDI-UHFFFAOYSA-N Synonym: 3-4-chlorophenyl-1h-pyrazol-5-amine,5-4-chlorophenyl-1h-pyrazol-3-amine,5-amino-3-4-chlorophenyl pyrazole,5-4-chlorophenyl-2h-pyrazol-3-amine,3-amino-5-4-chlorophenyl-1h-pyrazole,5-amino-3-4-chlorophenyl-1h-pyrazole,3-amino-5-4-chlorophenyl pyrazole,5-4-chlorophenyl-2h-pyrazol-3-ylamine,3-4-chlorophenyl pyrazole-5-ylamine,pubchem12126 PubChem CID: 2735305 IUPAC Name: 5-(4-chlorophenyl)-1H-pyrazol-3-amine SMILES: NC1=NNC(=C1)C1=CC=C(Cl)C=C1
| PubChem CID | 2735305 |
|---|---|
| CAS | 78583-81-0 |
| Molecular Weight (g/mol) | 193.63 |
| MDL Number | MFCD00053046 |
| SMILES | NC1=NNC(=C1)C1=CC=C(Cl)C=C1 |
| Synonym | 3-4-chlorophenyl-1h-pyrazol-5-amine,5-4-chlorophenyl-1h-pyrazol-3-amine,5-amino-3-4-chlorophenyl pyrazole,5-4-chlorophenyl-2h-pyrazol-3-amine,3-amino-5-4-chlorophenyl-1h-pyrazole,5-amino-3-4-chlorophenyl-1h-pyrazole,3-amino-5-4-chlorophenyl pyrazole,5-4-chlorophenyl-2h-pyrazol-3-ylamine,3-4-chlorophenyl pyrazole-5-ylamine,pubchem12126 |
| IUPAC Name | 5-(4-chlorophenyl)-1H-pyrazol-3-amine |
| InChI Key | XQPBZIITFQHIDI-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClN3 |
(1-Thieno[3,2-d]pyrimidin-4-ylpiperid-4-yl)methanol, 97%, Thermo Scientific™
CAS: 910037-26-2 Molecular Formula: C12H15N3OS Molecular Weight (g/mol): 249.332 MDL Number: MFCD09065024 InChI Key: UXMVQNYPOJJGNA-UHFFFAOYSA-N Synonym: 1-thieno 3,2-d pyrimidin-4-ylpiperid-4-yl methanol,1-thieno 3,2-d pyrimidin-4-yl piperidin-4-yl methanol,4-piperidinemethanol,1-thieno 3,2-d pyrimidin-4-yl,1-thiopheno 2,3-e pyrimidin-4-yl-4-piperidyl methan-1-ol PubChem CID: 24229707 IUPAC Name: (1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanol SMILES: C1CN(CCC1CO)C2=NC=NC3=C2SC=C3
| PubChem CID | 24229707 |
|---|---|
| CAS | 910037-26-2 |
| Molecular Weight (g/mol) | 249.332 |
| MDL Number | MFCD09065024 |
| SMILES | C1CN(CCC1CO)C2=NC=NC3=C2SC=C3 |
| Synonym | 1-thieno 3,2-d pyrimidin-4-ylpiperid-4-yl methanol,1-thieno 3,2-d pyrimidin-4-yl piperidin-4-yl methanol,4-piperidinemethanol,1-thieno 3,2-d pyrimidin-4-yl,1-thiopheno 2,3-e pyrimidin-4-yl-4-piperidyl methan-1-ol |
| IUPAC Name | (1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanol |
| InChI Key | UXMVQNYPOJJGNA-UHFFFAOYSA-N |
| Molecular Formula | C12H15N3OS |
1-Boc-3-pyrrolidinone, 97%
CAS: 101385-93-7 Molecular Formula: C9H15NO3 Molecular Weight (g/mol): 185.223 MDL Number: MFCD01631194 InChI Key: JSOMVCDXPUXKIC-UHFFFAOYSA-N Synonym: n-boc-3-pyrrolidinone,1-boc-3-pyrrolidinone,1-n-boc-3-pyrrolidinone,n-tert-butoxycarbonyl-3-pyrrolidinone,n-boc-pyrrolidine-3-one,boc-3-pyrrolidinone,1-boc-3-pyrrolidone,3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxopyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-pyrrolidone PubChem CID: 471360 IUPAC Name: tert-butyl 3-oxopyrrolidine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCC(=O)C1
| PubChem CID | 471360 |
|---|---|
| CAS | 101385-93-7 |
| Molecular Weight (g/mol) | 185.223 |
| MDL Number | MFCD01631194 |
| SMILES | CC(C)(C)OC(=O)N1CCC(=O)C1 |
| Synonym | n-boc-3-pyrrolidinone,1-boc-3-pyrrolidinone,1-n-boc-3-pyrrolidinone,n-tert-butoxycarbonyl-3-pyrrolidinone,n-boc-pyrrolidine-3-one,boc-3-pyrrolidinone,1-boc-3-pyrrolidone,3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxopyrrolidinecarboxylate,1-tert-butoxycarbonyl-3-pyrrolidone |
| IUPAC Name | tert-butyl 3-oxopyrrolidine-1-carboxylate |
| InChI Key | JSOMVCDXPUXKIC-UHFFFAOYSA-N |
| Molecular Formula | C9H15NO3 |