Organoheterocyclic compounds
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3-Isocyanato-2-methyl-6-(trifluoromethyl)pyridine, Thermo Scientific™
CAS: 874832-10-7 Molecular Formula: C8H5F3N2O Molecular Weight (g/mol): 202.136 InChI Key: BRXUOLWIERBAPA-UHFFFAOYSA-N Synonym: 3-isocyanato-2-methyl-6-trifluoromethyl pyridine,pyridine, 3-isocyanato-2-methyl-6-trifluoromethyl,2-methyl-6-trifluoromethyl pyridin-3-isocyanate PubChem CID: 45594323 IUPAC Name: 3-isocyanato-2-methyl-6-(trifluoromethyl)pyridine SMILES: CC1=C(C=CC(=N1)C(F)(F)F)N=C=O
| PubChem CID | 45594323 |
|---|---|
| CAS | 874832-10-7 |
| Molecular Weight (g/mol) | 202.136 |
| SMILES | CC1=C(C=CC(=N1)C(F)(F)F)N=C=O |
| Synonym | 3-isocyanato-2-methyl-6-trifluoromethyl pyridine,pyridine, 3-isocyanato-2-methyl-6-trifluoromethyl,2-methyl-6-trifluoromethyl pyridin-3-isocyanate |
| IUPAC Name | 3-isocyanato-2-methyl-6-(trifluoromethyl)pyridine |
| InChI Key | BRXUOLWIERBAPA-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3N2O |
3-(Chloromethyl)-5-(2-furyl)isoxazole, ≥97%, Thermo Scientific™
CAS: 848658-70-8 Molecular Formula: C8H6ClNO2 Molecular Weight (g/mol): 183.591 MDL Number: MFCD07329988 InChI Key: IPIMDVOPXIOKAK-UHFFFAOYSA-N Synonym: 3-chloromethyl-5-2-furyl isoxazole,3-chloromethyl-5-furan-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-furanyl,3-chloromethyl-5-furan-2-yl isoxazole PubChem CID: 4962799 IUPAC Name: 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole SMILES: C1=COC(=C1)C2=CC(=NO2)CCl
| PubChem CID | 4962799 |
|---|---|
| CAS | 848658-70-8 |
| Molecular Weight (g/mol) | 183.591 |
| MDL Number | MFCD07329988 |
| SMILES | C1=COC(=C1)C2=CC(=NO2)CCl |
| Synonym | 3-chloromethyl-5-2-furyl isoxazole,3-chloromethyl-5-furan-2-yl-1,2-oxazole,isoxazole,3-chloromethyl-5-2-furanyl,3-chloromethyl-5-furan-2-yl isoxazole |
| IUPAC Name | 3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole |
| InChI Key | IPIMDVOPXIOKAK-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO2 |
5,5-Dimethyl-1,3-dioxan-2-one, tech.
CAS: 3592-12-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00014650 InChI Key: JRFXQKZEGILCCO-UHFFFAOYSA-N Synonym: neopentylene carbonate,2,2-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-diox-2-one,acmc-1adx1,3-nitro-5-chlorobenzenesulfonamide,5,5-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-dioxane-2-one,5,5-dimethyl-2-oxo-1,3-dioxane,1,3-dioxan-2-one,5,5-dimethyl,5,5-dimethyl-1,3 dioxan-2-one PubChem CID: 137984 IUPAC Name: 5,5-dimethyl-1,3-dioxan-2-one SMILES: CC1(COC(=O)OC1)C
| PubChem CID | 137984 |
|---|---|
| CAS | 3592-12-9 |
| Molecular Weight (g/mol) | 130.14 |
| MDL Number | MFCD00014650 |
| SMILES | CC1(COC(=O)OC1)C |
| Synonym | neopentylene carbonate,2,2-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-diox-2-one,acmc-1adx1,3-nitro-5-chlorobenzenesulfonamide,5,5-dimethyltrimethylene carbonate,5,5-dimethyl-1,3-dioxane-2-one,5,5-dimethyl-2-oxo-1,3-dioxane,1,3-dioxan-2-one,5,5-dimethyl,5,5-dimethyl-1,3 dioxan-2-one |
| IUPAC Name | 5,5-dimethyl-1,3-dioxan-2-one |
| InChI Key | JRFXQKZEGILCCO-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
3,4,9,10-Perylenetetracarboxylic diimide
CAS: 81-33-4 Molecular Formula: C24H10N2O4 Molecular Weight (g/mol): 390.354 MDL Number: MFCD00024144 InChI Key: KJOLVZJFMDVPGB-UHFFFAOYSA-N Synonym: perylimid,3,4,9,10-perylenetetracarboxylic diimide,perylenediimide,3,4,9,10-perylenetetracarboxylic acid diimide,perylene-3,4:9,10-tetracarboxydiimide,unii-63nli8842l,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetrone,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetraone,isoquino 4',5',6':6,5,10 anthra 2,1,9-def isoquinoline-1,3,8,10 2h,9h-tetrone PubChem CID: 66475 ChEBI: CHEBI:52753 SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O
| PubChem CID | 66475 |
|---|---|
| CAS | 81-33-4 |
| Molecular Weight (g/mol) | 390.354 |
| ChEBI | CHEBI:52753 |
| MDL Number | MFCD00024144 |
| SMILES | C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O |
| Synonym | perylimid,3,4,9,10-perylenetetracarboxylic diimide,perylenediimide,3,4,9,10-perylenetetracarboxylic acid diimide,perylene-3,4:9,10-tetracarboxydiimide,unii-63nli8842l,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetrone,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetraone,isoquino 4',5',6':6,5,10 anthra 2,1,9-def isoquinoline-1,3,8,10 2h,9h-tetrone |
| InChI Key | KJOLVZJFMDVPGB-UHFFFAOYSA-N |
| Molecular Formula | C24H10N2O4 |
Omeprazole, USP, 98-102%, Spectrum™ Chemical
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CAS: 73590-58-6 Molecular Formula: C17H19N3O3S Molecular Weight (g/mol): 345.42 InChI Key: SUBDBMMJDZJVOS-UHFFFAOYNA-N IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole SMILES: COC1=CC=C2N=C(NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C
| CAS | 73590-58-6 |
|---|---|
| Molecular Weight (g/mol) | 345.42 |
| SMILES | COC1=CC=C2N=C(NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C |
| IUPAC Name | 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole |
| InChI Key | SUBDBMMJDZJVOS-UHFFFAOYNA-N |
| Molecular Formula | C17H19N3O3S |
8-Hydroxyquinoline Sulfate, 98%3, Spectrum™ Chemical
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CAS: 134-31-6
| CAS | 134-31-6 |
|---|
2-Amino-5-iodopyridine, 97%
CAS: 20511-12-0 Molecular Formula: C5H5IN2 Molecular Weight (g/mol): 220.013 MDL Number: MFCD00160312 InChI Key: IVILGUFRMDBUEQ-UHFFFAOYSA-N Synonym: 2-amino-5-iodopyridine,2-pyridinamine, 5-iodo,5-iodo-pyridin-2-ylamine,5-iodo-2-pyridinamine,5-iodo-2-aminopyridine,2-amino-5-iodo pyridine,pyridine, 2-amino-5-iodo,5-iod-2-pyridinamin,5-iodo-2-pyridylamine,6-amino-3-iodopyridine PubChem CID: 88579 IUPAC Name: 5-iodopyridin-2-amine SMILES: C1=CC(=NC=C1I)N
| PubChem CID | 88579 |
|---|---|
| CAS | 20511-12-0 |
| Molecular Weight (g/mol) | 220.013 |
| MDL Number | MFCD00160312 |
| SMILES | C1=CC(=NC=C1I)N |
| Synonym | 2-amino-5-iodopyridine,2-pyridinamine, 5-iodo,5-iodo-pyridin-2-ylamine,5-iodo-2-pyridinamine,5-iodo-2-aminopyridine,2-amino-5-iodo pyridine,pyridine, 2-amino-5-iodo,5-iod-2-pyridinamin,5-iodo-2-pyridylamine,6-amino-3-iodopyridine |
| IUPAC Name | 5-iodopyridin-2-amine |
| InChI Key | IVILGUFRMDBUEQ-UHFFFAOYSA-N |
| Molecular Formula | C5H5IN2 |
5-Bromo-2-hydroxy-4-methylpyridine, 97%
CAS: 164513-38-6 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.024 MDL Number: MFCD03427664 InChI Key: BYGNXKDNIFHZHQ-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxy-4-methylpyridine,5-bromo-4-methylpyridin-2-ol,5-bromo-2-hydroxy-4-picoline,5-bromo-4-methyl-2 1h-pyridinone,5-bromo-4-methyl-2-pyridinol,2-hydroxy-4-methyl-5-bromopyridine,5-bromo-4-methyl-pyridin-2-ol,pubchem6564,acmc-209dre,ksc496a8d PubChem CID: 819937 IUPAC Name: 5-bromo-4-methyl-1H-pyridin-2-one SMILES: CC1=CC(=O)NC=C1Br
| PubChem CID | 819937 |
|---|---|
| CAS | 164513-38-6 |
| Molecular Weight (g/mol) | 188.024 |
| MDL Number | MFCD03427664 |
| SMILES | CC1=CC(=O)NC=C1Br |
| Synonym | 5-bromo-2-hydroxy-4-methylpyridine,5-bromo-4-methylpyridin-2-ol,5-bromo-2-hydroxy-4-picoline,5-bromo-4-methyl-2 1h-pyridinone,5-bromo-4-methyl-2-pyridinol,2-hydroxy-4-methyl-5-bromopyridine,5-bromo-4-methyl-pyridin-2-ol,pubchem6564,acmc-209dre,ksc496a8d |
| IUPAC Name | 5-bromo-4-methyl-1H-pyridin-2-one |
| InChI Key | BYGNXKDNIFHZHQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
5-(2-Pyridinyl)-2-thiophenecarbothioamide, 97%, Thermo Scientific™
CAS: 306934-91-8 Molecular Formula: C10H8N2S2 Molecular Weight (g/mol): 220.308 MDL Number: MFCD02677740 InChI Key: VOYHCOULKKDLRP-UHFFFAOYSA-N Synonym: 5-2-pyridinyl-2-thiophenecarbothioamide,5-pyridin-2-yl thiophene-2-carbothioamide,2-thiophenecarbothioamide,5-2-pyridinyl,5-pyridin-2-yl thiophene-2-thiocarboxamide,amino 5-2-pyridyl 2-thienyl methane-1-thione PubChem CID: 2776127 IUPAC Name: 5-pyridin-2-ylthiophene-2-carbothioamide SMILES: C1=CC=NC(=C1)C2=CC=C(S2)C(=S)N
| PubChem CID | 2776127 |
|---|---|
| CAS | 306934-91-8 |
| Molecular Weight (g/mol) | 220.308 |
| MDL Number | MFCD02677740 |
| SMILES | C1=CC=NC(=C1)C2=CC=C(S2)C(=S)N |
| Synonym | 5-2-pyridinyl-2-thiophenecarbothioamide,5-pyridin-2-yl thiophene-2-carbothioamide,2-thiophenecarbothioamide,5-2-pyridinyl,5-pyridin-2-yl thiophene-2-thiocarboxamide,amino 5-2-pyridyl 2-thienyl methane-1-thione |
| IUPAC Name | 5-pyridin-2-ylthiophene-2-carbothioamide |
| InChI Key | VOYHCOULKKDLRP-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2S2 |
3-Bromo-4-methylpyridine, 98%
CAS: 3430-22-6 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.025 MDL Number: MFCD00082592 InChI Key: GSQZOLXWFQQJHJ-UHFFFAOYSA-N Synonym: 3-bromo-4-picoline,4-methyl-3-bromopyridine,pyridine, 3-bromo-4-methyl,3-bromo-4-methyl-pyridine,3-brom-4-methylpyridin,zlchem 494,pubchem3994,3-bromo4-methylpyridine,3-bromo-4-methylpyridin PubChem CID: 817630 IUPAC Name: 3-bromo-4-methylpyridine SMILES: CC1=C(C=NC=C1)Br
| PubChem CID | 817630 |
|---|---|
| CAS | 3430-22-6 |
| Molecular Weight (g/mol) | 172.025 |
| MDL Number | MFCD00082592 |
| SMILES | CC1=C(C=NC=C1)Br |
| Synonym | 3-bromo-4-picoline,4-methyl-3-bromopyridine,pyridine, 3-bromo-4-methyl,3-bromo-4-methyl-pyridine,3-brom-4-methylpyridin,zlchem 494,pubchem3994,3-bromo4-methylpyridine,3-bromo-4-methylpyridin |
| IUPAC Name | 3-bromo-4-methylpyridine |
| InChI Key | GSQZOLXWFQQJHJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
2-Amino-6-(trifluoromethyl)pyridine, 98+%
CAS: 34486-24-3 Molecular Formula: C6H5F3N2 Molecular Weight (g/mol): 162.115 MDL Number: MFCD03093868 InChI Key: NFYYDQMFURPHCC-UHFFFAOYSA-N Synonym: 2-amino-6-trifluoromethyl pyridine,6-trifluoromethyl pyridin-2-amine,2-amino-6-trifluoromethylpyridine,6-trifluoromethyl-2-pyridinamine,6-trifluoromethyl-2-pyridinylamine,6-trifluoromethyl-2-pyridylamine,6-trifluoromethyl-pyridin-2-ylamine,2-pyridinamine, 6-trifluoromethyl,acmc-209i7w PubChem CID: 821024 IUPAC Name: 6-(trifluoromethyl)pyridin-2-amine SMILES: C1=CC(=NC(=C1)N)C(F)(F)F
| PubChem CID | 821024 |
|---|---|
| CAS | 34486-24-3 |
| Molecular Weight (g/mol) | 162.115 |
| MDL Number | MFCD03093868 |
| SMILES | C1=CC(=NC(=C1)N)C(F)(F)F |
| Synonym | 2-amino-6-trifluoromethyl pyridine,6-trifluoromethyl pyridin-2-amine,2-amino-6-trifluoromethylpyridine,6-trifluoromethyl-2-pyridinamine,6-trifluoromethyl-2-pyridinylamine,6-trifluoromethyl-2-pyridylamine,6-trifluoromethyl-pyridin-2-ylamine,2-pyridinamine, 6-trifluoromethyl,acmc-209i7w |
| IUPAC Name | 6-(trifluoromethyl)pyridin-2-amine |
| InChI Key | NFYYDQMFURPHCC-UHFFFAOYSA-N |
| Molecular Formula | C6H5F3N2 |
3,4-(Methylenedioxy)phenylacetonitrile, 98+%
CAS: 4439-02-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005835 InChI Key: ZQPBOYASBNAXOZ-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy phenylacetonitrile,1,3-benzodioxole-5-acetonitrile,3,4-methylenedioxyphenylacetonitrile,2-benzo d 1,3 dioxol-5-yl acetonitrile,3,4-methylenedioxybenzyl cyanide,2-2h-1,3-benzodioxol-5-yl acetonitrile,1,3-benzodioxol-5-ylacetonitrile,2-1,3-benzodioxol-5-yl acetonitrile,3,4-methylenedioxybenzylcyanide,homopiperonylonitrile PubChem CID: 78178 IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetonitrile SMILES: C1OC2=C(O1)C=C(C=C2)CC#N
| PubChem CID | 78178 |
|---|---|
| CAS | 4439-02-5 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00005835 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CC#N |
| Synonym | 3,4-methylenedioxy phenylacetonitrile,1,3-benzodioxole-5-acetonitrile,3,4-methylenedioxyphenylacetonitrile,2-benzo d 1,3 dioxol-5-yl acetonitrile,3,4-methylenedioxybenzyl cyanide,2-2h-1,3-benzodioxol-5-yl acetonitrile,1,3-benzodioxol-5-ylacetonitrile,2-1,3-benzodioxol-5-yl acetonitrile,3,4-methylenedioxybenzylcyanide,homopiperonylonitrile |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)acetonitrile |
| InChI Key | ZQPBOYASBNAXOZ-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
Tetrahydro-2H-pyran-4-carbonyl chloride, ≥97%, Thermo Scientific™
CAS: 40191-32-0 Molecular Formula: C6H9ClO2 Molecular Weight (g/mol): 148.59 MDL Number: MFCD06200863 InChI Key: RYGUCYSSMOFTSH-UHFFFAOYSA-N Synonym: tetrahydro-2h-pyran-4-carbonyl chloride,2h-pyran-4-carbonyl chloride, tetrahydro,tetrahydro-2h-pyran-4-carbonylchloride,pubchem12437,ksc235m5r,tetrahydropyran-4-carbonyl chloride,tetrahydro-pyran-4-carbonyl chloride,4-chloroformyl tetrahydro-2h-pyran,tetrahydropyran-4-carboxylic chloride,4-chlorocarbonyl tetrahydro-2h-pyran PubChem CID: 2795505 IUPAC Name: oxane-4-carbonyl chloride SMILES: ClC(=O)C1CCOCC1
| PubChem CID | 2795505 |
|---|---|
| CAS | 40191-32-0 |
| Molecular Weight (g/mol) | 148.59 |
| MDL Number | MFCD06200863 |
| SMILES | ClC(=O)C1CCOCC1 |
| Synonym | tetrahydro-2h-pyran-4-carbonyl chloride,2h-pyran-4-carbonyl chloride, tetrahydro,tetrahydro-2h-pyran-4-carbonylchloride,pubchem12437,ksc235m5r,tetrahydropyran-4-carbonyl chloride,tetrahydro-pyran-4-carbonyl chloride,4-chloroformyl tetrahydro-2h-pyran,tetrahydropyran-4-carboxylic chloride,4-chlorocarbonyl tetrahydro-2h-pyran |
| IUPAC Name | oxane-4-carbonyl chloride |
| InChI Key | RYGUCYSSMOFTSH-UHFFFAOYSA-N |
| Molecular Formula | C6H9ClO2 |
2-piperidinobenzamide, 97%, Thermo Scientific™
CAS: 3430-40-8 Molecular Formula: C12H16N2O Molecular Weight (g/mol): 204.27 MDL Number: MFCD00052257 InChI Key: VTXYPPVXMJMLCY-UHFFFAOYSA-N Synonym: 2-piperidinobenzamide,2-piperidin-1-yl benzamide,benzamide,2-1-piperidinyl,2-piperidylbenzamide,piperidinyl benzamide,maybridge1_000974,2-1-piperidinyl benzamide,benzamide, 2-1-piperidinyl PubChem CID: 335067 SMILES: NC(=O)C1=CC=CC=C1N1CCCCC1
| PubChem CID | 335067 |
|---|---|
| CAS | 3430-40-8 |
| Molecular Weight (g/mol) | 204.27 |
| MDL Number | MFCD00052257 |
| SMILES | NC(=O)C1=CC=CC=C1N1CCCCC1 |
| Synonym | 2-piperidinobenzamide,2-piperidin-1-yl benzamide,benzamide,2-1-piperidinyl,2-piperidylbenzamide,piperidinyl benzamide,maybridge1_000974,2-1-piperidinyl benzamide,benzamide, 2-1-piperidinyl |
| InChI Key | VTXYPPVXMJMLCY-UHFFFAOYSA-N |
| Molecular Formula | C12H16N2O |
(2-Methyl-6-quinolinyl)methanol, 97%, Thermo Scientific™
CAS: 108166-02-5 Molecular Formula: C11H11NO Molecular Weight (g/mol): 173.22 MDL Number: MFCD06659066 InChI Key: HLFYJILNIBADGG-UHFFFAOYSA-N Synonym: 2-methylquinolin-6-yl methanol,2-methyl-6-quinolinyl methanol,2-methylquinoline-6-methanol,6-quinolinemethanol,2-methyl,6-quinolinemethanol, 2-methyl,6-hydroxymethyl-2-methylquinoline,acmc-1bsb5,2-methyl-6-quinolyl methan-1-ol,6-hydroxymethyl-2-methyl-1-azanaphthalene PubChem CID: 2795481 IUPAC Name: (2-methylquinolin-6-yl)methanol SMILES: CC1=CC=C2C=C(CO)C=CC2=N1
| PubChem CID | 2795481 |
|---|---|
| CAS | 108166-02-5 |
| Molecular Weight (g/mol) | 173.22 |
| MDL Number | MFCD06659066 |
| SMILES | CC1=CC=C2C=C(CO)C=CC2=N1 |
| Synonym | 2-methylquinolin-6-yl methanol,2-methyl-6-quinolinyl methanol,2-methylquinoline-6-methanol,6-quinolinemethanol,2-methyl,6-quinolinemethanol, 2-methyl,6-hydroxymethyl-2-methylquinoline,acmc-1bsb5,2-methyl-6-quinolyl methan-1-ol,6-hydroxymethyl-2-methyl-1-azanaphthalene |
| IUPAC Name | (2-methylquinolin-6-yl)methanol |
| InChI Key | HLFYJILNIBADGG-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO |