Organoheterocyclic compounds
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2-Coumaranone 98.0+%, TCI America™
CAS: 553-86-6 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00005856 InChI Key: ACZGCWSMSTYWDQ-UHFFFAOYSA-N Synonym: 2-coumaranone,benzofuran-2 3h-one,2 3h-benzofuranone,3h-benzofuran-2-one,benzofuran-2-one,benzofuranone,1-benzofuran-2 3h-one,isocoumaranone,2-coumarotioiie PubChem CID: 68382 IUPAC Name: 3H-1-benzofuran-2-one SMILES: C1C2=CC=CC=C2OC1=O
| PubChem CID | 68382 |
|---|---|
| CAS | 553-86-6 |
| Molecular Weight (g/mol) | 134.134 |
| MDL Number | MFCD00005856 |
| SMILES | C1C2=CC=CC=C2OC1=O |
| Synonym | 2-coumaranone,benzofuran-2 3h-one,2 3h-benzofuranone,3h-benzofuran-2-one,benzofuran-2-one,benzofuranone,1-benzofuran-2 3h-one,isocoumaranone,2-coumarotioiie |
| IUPAC Name | 3H-1-benzofuran-2-one |
| InChI Key | ACZGCWSMSTYWDQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |
5-Methyl-1H-benzotriazole 99.0+%, TCI America™
CAS: 136-85-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.15 MDL Number: MFCD00005702 InChI Key: LRUDIIUSNGCQKF-UHFFFAOYSA-N Synonym: 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1 PubChem CID: 8705 ChEBI: CHEBI:83455 IUPAC Name: 5-methyl-2H-1,2,3-benzotriazole SMILES: CC1=CC2=NNN=C2C=C1
| PubChem CID | 8705 |
|---|---|
| CAS | 136-85-6 |
| Molecular Weight (g/mol) | 133.15 |
| ChEBI | CHEBI:83455 |
| MDL Number | MFCD00005702 |
| SMILES | CC1=CC2=NNN=C2C=C1 |
| Synonym | 5-methyl-1h-benzotriazole,5-methylbenzotriazole,tolutriazole,5-tolyltriazole,1h-benzotriazole, 5-methyl,6-methylbenzotriazole,5-methyl-1h-benzo d 1,2,3 triazole,5-methyl-1,2,3-benzotriazole,6-methyl-1,2,3-benzotriazole,t56 bmnnj g1 |
| IUPAC Name | 5-methyl-2H-1,2,3-benzotriazole |
| InChI Key | LRUDIIUSNGCQKF-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3 |
Milrinone 98.0+%, TCI America™
CAS: 78415-72-2 Molecular Formula: C12H9N3O Molecular Weight (g/mol): 211.224 MDL Number: MFCD00133539 InChI Key: PZRHRDRVRGEVNW-UHFFFAOYSA-N Synonym: milrinone,primacor,corotrope,corotrop,milrinona,milrinonum,milrinonum latin,milrinona spanish,milrila,unii-ju9yax04c7 PubChem CID: 4197 ChEBI: CHEBI:50693 IUPAC Name: 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile SMILES: CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2
| PubChem CID | 4197 |
|---|---|
| CAS | 78415-72-2 |
| Molecular Weight (g/mol) | 211.224 |
| ChEBI | CHEBI:50693 |
| MDL Number | MFCD00133539 |
| SMILES | CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2 |
| Synonym | milrinone,primacor,corotrope,corotrop,milrinona,milrinonum,milrinonum latin,milrinona spanish,milrila,unii-ju9yax04c7 |
| IUPAC Name | 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile |
| InChI Key | PZRHRDRVRGEVNW-UHFFFAOYSA-N |
| Molecular Formula | C12H9N3O |
Paroxetine Hydrochloride Hemihydrate 98.0+%, TCI America™
CAS: 110429-35-1 Molecular Formula: C38H42F2N2O7 Molecular Weight (g/mol): 676.758 MDL Number: MFCD03658863 InChI Key: ZXJDTEDKPXHKJZ-HBQYTBQASA-N Synonym: (3S,4R)-(-)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine Hydrochloride PubChem CID: 56829429 IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate SMILES: C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O
| PubChem CID | 56829429 |
|---|---|
| CAS | 110429-35-1 |
| Molecular Weight (g/mol) | 676.758 |
| MDL Number | MFCD03658863 |
| SMILES | C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O |
| Synonym | (3S,4R)-(-)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine Hydrochloride |
| IUPAC Name | (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate |
| InChI Key | ZXJDTEDKPXHKJZ-HBQYTBQASA-N |
| Molecular Formula | C38H42F2N2O7 |
4-Amino-2,2,6,6-tetramethylpiperidine 98.0+%, TCI America™
CAS: 36768-62-4 Molecular Formula: C9H22N2 Molecular Weight (g/mol): 158.29 MDL Number: MFCD00005984 InChI Key: FTVFPPFZRRKJIH-UHFFFAOYSA-P Synonym: 4-amino-2,2,6,6-tetramethylpiperidine,triacetonediamine,2,2,6,6-tetramethyl-4-aminopiperidine,4-piperidinamine, 2,2,6,6-tetramethyl,unii-etf220q65r,2,2,6,6-tetramethyl-4-piperidylamine,4-amino-2,2,6,6-tetramethyl-piperidine,piperidine, 4-amino-2,2,6,6-tetramethyl,2,2,6,6-tetramethyl-4-piperidinamine,4-amino-2,2,6,6-tetramethyl piperidine PubChem CID: 37524 IUPAC Name: 4-azaniumyl-2,2,6,6-tetramethylpiperidin-1-ium SMILES: CC1(C)CC([NH3+])CC(C)(C)[NH2+]1
| PubChem CID | 37524 |
|---|---|
| CAS | 36768-62-4 |
| Molecular Weight (g/mol) | 158.29 |
| MDL Number | MFCD00005984 |
| SMILES | CC1(C)CC([NH3+])CC(C)(C)[NH2+]1 |
| Synonym | 4-amino-2,2,6,6-tetramethylpiperidine,triacetonediamine,2,2,6,6-tetramethyl-4-aminopiperidine,4-piperidinamine, 2,2,6,6-tetramethyl,unii-etf220q65r,2,2,6,6-tetramethyl-4-piperidylamine,4-amino-2,2,6,6-tetramethyl-piperidine,piperidine, 4-amino-2,2,6,6-tetramethyl,2,2,6,6-tetramethyl-4-piperidinamine,4-amino-2,2,6,6-tetramethyl piperidine |
| IUPAC Name | 4-azaniumyl-2,2,6,6-tetramethylpiperidin-1-ium |
| InChI Key | FTVFPPFZRRKJIH-UHFFFAOYSA-P |
| Molecular Formula | C9H22N2 |
2-Amino-3,5-dibromopyridine 98.0+%, TCI America™
CAS: 35486-42-1 Molecular Formula: C5H4Br2N2 Molecular Weight (g/mol): 251.909 MDL Number: MFCD00038041 InChI Key: WJMJWMSWJSACSN-UHFFFAOYSA-N Synonym: 2-amino-3,5-dibromopyridine,3,5-dibromo-2-pyridylamine,2-pyridinamine, 3,5-dibromo,3,5-dibromo-2-pyridinamine,3,5-dibromo-pyridin-2-ylamine,3,5-dibromo-2-pyridinylamine,2-amino-3,5-dibromo pyridine,3,5-dibrompyridin-2-amin,pubchem1130,maybridge1_001693 PubChem CID: 98851 IUPAC Name: 3,5-dibromopyridin-2-amine SMILES: C1=C(C=NC(=C1Br)N)Br
| PubChem CID | 98851 |
|---|---|
| CAS | 35486-42-1 |
| Molecular Weight (g/mol) | 251.909 |
| MDL Number | MFCD00038041 |
| SMILES | C1=C(C=NC(=C1Br)N)Br |
| Synonym | 2-amino-3,5-dibromopyridine,3,5-dibromo-2-pyridylamine,2-pyridinamine, 3,5-dibromo,3,5-dibromo-2-pyridinamine,3,5-dibromo-pyridin-2-ylamine,3,5-dibromo-2-pyridinylamine,2-amino-3,5-dibromo pyridine,3,5-dibrompyridin-2-amin,pubchem1130,maybridge1_001693 |
| IUPAC Name | 3,5-dibromopyridin-2-amine |
| InChI Key | WJMJWMSWJSACSN-UHFFFAOYSA-N |
| Molecular Formula | C5H4Br2N2 |
1,2,3,4-Tetrahydroisoquinoline 95.0+%, TCI America™
CAS: 91-21-4 Molecular Formula: C9H11N Molecular Weight (g/mol): 133.19 MDL Number: MFCD00006896 InChI Key: UWYZHKAOTLEWKK-UHFFFAOYSA-N Synonym: tetrahydroisoquinoline,1,2,3,4-tetrahydro-isoquinoline,isoquinoline, 1,2,3,4-tetrahydro,1,2,3,4-tetrahydro isoquinoline,1,2,3,4-tetrahydro-2-isoquinoline,1,2,3,4-tetrahydro-2-azanaphthalene,unii-56w89fbx3e,chembl14346,3,4-dihydro-1h-isoquinoline,tetrahydroisoquinolin PubChem CID: 7046 IUPAC Name: 1,2,3,4-tetrahydroisoquinoline SMILES: C1CC2=CC=CC=C2CN1
| PubChem CID | 7046 |
|---|---|
| CAS | 91-21-4 |
| Molecular Weight (g/mol) | 133.19 |
| MDL Number | MFCD00006896 |
| SMILES | C1CC2=CC=CC=C2CN1 |
| Synonym | tetrahydroisoquinoline,1,2,3,4-tetrahydro-isoquinoline,isoquinoline, 1,2,3,4-tetrahydro,1,2,3,4-tetrahydro isoquinoline,1,2,3,4-tetrahydro-2-isoquinoline,1,2,3,4-tetrahydro-2-azanaphthalene,unii-56w89fbx3e,chembl14346,3,4-dihydro-1h-isoquinoline,tetrahydroisoquinolin |
| IUPAC Name | 1,2,3,4-tetrahydroisoquinoline |
| InChI Key | UWYZHKAOTLEWKK-UHFFFAOYSA-N |
| Molecular Formula | C9H11N |
2,4,6-Triphenylpyridine 98.0+%, TCI America™
CAS: 580-35-8 Molecular Formula: C23H17N Molecular Weight (g/mol): 307.396 MDL Number: MFCD00014630 InChI Key: FRZHWQQBYDFNTH-UHFFFAOYSA-N PubChem CID: 136370 IUPAC Name: 2,4,6-triphenylpyridine SMILES: C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4
| PubChem CID | 136370 |
|---|---|
| CAS | 580-35-8 |
| Molecular Weight (g/mol) | 307.396 |
| MDL Number | MFCD00014630 |
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4 |
| IUPAC Name | 2,4,6-triphenylpyridine |
| InChI Key | FRZHWQQBYDFNTH-UHFFFAOYSA-N |
| Molecular Formula | C23H17N |
2-Nitrothiophene (contains 3-Nitrothiophene) 80.0+%, TCI America™
CAS: 609-40-5 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.133 MDL Number: MFCD00005425 InChI Key: JIZRGGUCOQKGQD-UHFFFAOYSA-N Synonym: thiophene, 2-nitro,2-nitro-thiophene,2-nitro thiophene,2-nitrothiophene, tech,nitrothiophene,2-nitrothiofene,pubchem5570,2-nitrothiophene, tech.,acmc-1aw2t,wln: t5sj bnw PubChem CID: 11866 IUPAC Name: 2-nitrothiophene SMILES: C1=CSC(=C1)[N+](=O)[O-]
| PubChem CID | 11866 |
|---|---|
| CAS | 609-40-5 |
| Molecular Weight (g/mol) | 129.133 |
| MDL Number | MFCD00005425 |
| SMILES | C1=CSC(=C1)[N+](=O)[O-] |
| Synonym | thiophene, 2-nitro,2-nitro-thiophene,2-nitro thiophene,2-nitrothiophene, tech,nitrothiophene,2-nitrothiofene,pubchem5570,2-nitrothiophene, tech.,acmc-1aw2t,wln: t5sj bnw |
| IUPAC Name | 2-nitrothiophene |
| InChI Key | JIZRGGUCOQKGQD-UHFFFAOYSA-N |
| Molecular Formula | C4H3NO2S |
Pyridoxal Hydrochloride 98.0+%, TCI America™
CAS: 65-22-5 Molecular Formula: C8H10ClNO3 Molecular Weight (g/mol): 203.622 MDL Number: MFCD00012809 InChI Key: FCHXJFJNDJXENQ-UHFFFAOYSA-N Synonym: pyridoxal hydrochloride,pyridoxal hcl,vitamin b6 hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride,unii-1416kf0qbc,2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride,pl hcl,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, hydrochloride,3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde hydrochloride PubChem CID: 6171 IUPAC Name: 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride SMILES: CC1=NC=C(C(=C1O)C=O)CO.Cl
| PubChem CID | 6171 |
|---|---|
| CAS | 65-22-5 |
| Molecular Weight (g/mol) | 203.622 |
| MDL Number | MFCD00012809 |
| SMILES | CC1=NC=C(C(=C1O)C=O)CO.Cl |
| Synonym | pyridoxal hydrochloride,pyridoxal hcl,vitamin b6 hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde hydrochloride,unii-1416kf0qbc,2-methyl-3-hydroxy-4-formyl-5-hydroxymethylpyridine hydrochloride,pl hcl,3-hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, hydrochloride,3-hydroxy-5-hydroxymethyl-2-methyl-4-pyridinecarboxaldehyde hydrochloride,3-hydroxy-5-hydroxymethyl-2-methylpyridine-4-carbaldehyde hydrochloride |
| IUPAC Name | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde;hydrochloride |
| InChI Key | FCHXJFJNDJXENQ-UHFFFAOYSA-N |
| Molecular Formula | C8H10ClNO3 |
Vincamine 98.0+%, TCI America™
CAS: 1617-90-9 Molecular Formula: C21H26N2O3 Molecular Weight (g/mol): 354.45 MDL Number: MFCD00078054 InChI Key: RXPRRQLKFXBCSJ-GIVPXCGWSA-N PubChem CID: 15376 ChEBI: CHEBI:9985 SMILES: CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O
| PubChem CID | 15376 |
|---|---|
| CAS | 1617-90-9 |
| Molecular Weight (g/mol) | 354.45 |
| ChEBI | CHEBI:9985 |
| MDL Number | MFCD00078054 |
| SMILES | CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O |
| InChI Key | RXPRRQLKFXBCSJ-GIVPXCGWSA-N |
| Molecular Formula | C21H26N2O3 |
Sodium 2-Mercaptobenzothiazole 97.0+%, TCI America™
CAS: 2492-26-4 Molecular Formula: C7H5NNaS2 Molecular Weight (g/mol): 190.234 MDL Number: MFCD00065334 InChI Key: KRXFTOUYGXMRRU-UHFFFAOYSA-N Synonym: Sodium 2-Benzothiazolethiolate, 2-Mercaptobenzothiazole Sodium Salt PubChem CID: 24195611 IUPAC Name: 3H-1,3-benzothiazole-2-thione;sodium SMILES: C1=CC=C2C(=C1)NC(=S)S2.[Na]
| PubChem CID | 24195611 |
|---|---|
| CAS | 2492-26-4 |
| Molecular Weight (g/mol) | 190.234 |
| MDL Number | MFCD00065334 |
| SMILES | C1=CC=C2C(=C1)NC(=S)S2.[Na] |
| Synonym | Sodium 2-Benzothiazolethiolate, 2-Mercaptobenzothiazole Sodium Salt |
| IUPAC Name | 3H-1,3-benzothiazole-2-thione;sodium |
| InChI Key | KRXFTOUYGXMRRU-UHFFFAOYSA-N |
| Molecular Formula | C7H5NNaS2 |
Citraconic Anhydride 98.0+%, TCI America™
CAS: 616-02-4 Molecular Formula: C5H4O3 Molecular Weight (g/mol): 112.084 MDL Number: MFCD00005522 InChI Key: AYKYXWQEBUNJCN-UHFFFAOYSA-N Synonym: citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx PubChem CID: 12012 IUPAC Name: 3-methylfuran-2,5-dione SMILES: CC1=CC(=O)OC1=O
| PubChem CID | 12012 |
|---|---|
| CAS | 616-02-4 |
| Molecular Weight (g/mol) | 112.084 |
| MDL Number | MFCD00005522 |
| SMILES | CC1=CC(=O)OC1=O |
| Synonym | citraconic anhydride,2,5-furandione, 3-methyl,2-methylmaleic anhydride,methylmaleic anhydride,3-methylmaleic anhydride,citraconic acid anhydride,monomethylmaleic anhydride,maleic anhydride, methyl,2-methylmaleicanhydride,unii-105np7pmxx |
| IUPAC Name | 3-methylfuran-2,5-dione |
| InChI Key | AYKYXWQEBUNJCN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O3 |
1,4-Butanediol Diglycidyl Ether 93.0+%, TCI America™
CAS: 2425-79-8 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00005146 InChI Key: SHKUUQIDMUMQQK-UHFFFAOYNA-N Synonym: 1,4-butanediol diglycidyl ether,1,4-diglycidyloxybutane,1,4-bis glycidyloxy butane,butanediol diglycidyl ether,araldit dy 026,1,4-butane diglycidyl ether,grilonit rv 1806,1,4-diglycidloxybutane,chs-rr2,1,4-bis 2,3-epoxypropoxy butane PubChem CID: 17046 IUPAC Name: 2-({4-[(oxiran-2-yl)methoxy]butoxy}methyl)oxirane SMILES: C(CCOCC1CO1)COCC1CO1
| PubChem CID | 17046 |
|---|---|
| CAS | 2425-79-8 |
| Molecular Weight (g/mol) | 202.25 |
| MDL Number | MFCD00005146 |
| SMILES | C(CCOCC1CO1)COCC1CO1 |
| Synonym | 1,4-butanediol diglycidyl ether,1,4-diglycidyloxybutane,1,4-bis glycidyloxy butane,butanediol diglycidyl ether,araldit dy 026,1,4-butane diglycidyl ether,grilonit rv 1806,1,4-diglycidloxybutane,chs-rr2,1,4-bis 2,3-epoxypropoxy butane |
| IUPAC Name | 2-({4-[(oxiran-2-yl)methoxy]butoxy}methyl)oxirane |
| InChI Key | SHKUUQIDMUMQQK-UHFFFAOYNA-N |
| Molecular Formula | C10H18O4 |