Organooxygen compounds
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4-Acetyldiphenyl sulfone, 98%
CAS: 65085-83-8 Molecular Formula: C14H12O3S Molecular Weight (g/mol): 260.307 MDL Number: MFCD00209628 InChI Key: FGFHDNIGKVTTLC-UHFFFAOYSA-N Synonym: 4-acetyldiphenyl sulfone,1-4-phenylsulfonyl phenyl ethanone,1-4-benzenesulfonyl phenyl ethanone,4-acetyl diphenyl sulfone,1-4-phenylsulfonyl phenyl ethan-1-one,pubchem15334,4-acetyldiphenylsulfone,4-phenylsulfonyl acetophenone,phenyl 4-acetylphenyl sulfone PubChem CID: 265878 IUPAC Name: 1-[4-(benzenesulfonyl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
| PubChem CID | 265878 |
|---|---|
| CAS | 65085-83-8 |
| Molecular Weight (g/mol) | 260.307 |
| MDL Number | MFCD00209628 |
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2 |
| Synonym | 4-acetyldiphenyl sulfone,1-4-phenylsulfonyl phenyl ethanone,1-4-benzenesulfonyl phenyl ethanone,4-acetyl diphenyl sulfone,1-4-phenylsulfonyl phenyl ethan-1-one,pubchem15334,4-acetyldiphenylsulfone,4-phenylsulfonyl acetophenone,phenyl 4-acetylphenyl sulfone |
| IUPAC Name | 1-[4-(benzenesulfonyl)phenyl]ethanone |
| InChI Key | FGFHDNIGKVTTLC-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3S |
6-Ethoxy-2-mercaptobenzothiazole, 99%
CAS: 120-53-6 Molecular Formula: C9H9NOS2 Molecular Weight (g/mol): 211.297 MDL Number: MFCD00005782 InChI Key: HOASVNMVYBSLSU-UHFFFAOYSA-N Synonym: 6-ethoxy-2-mercaptobenzothiazole,6-ethoxybenzothiazole-2-thiol,2 3h-benzothiazolethione, 6-ethoxy,6-ethoxybenzothiazolethiol,usaf pd-58,6-ethoxy-2-benzothiazolethiol,6-ethoxybenzo d thiazole-2 3h-thione,6-ethoxy-1,3-benzothiazole-2-thiol,2-mercapto-6-ethoxybenzothiazole,2-benzothiazolethiol, 6-ethoxy PubChem CID: 719344 IUPAC Name: 6-ethoxy-3H-1,3-benzothiazole-2-thione SMILES: CCOC1=CC2=C(C=C1)NC(=S)S2
| PubChem CID | 719344 |
|---|---|
| CAS | 120-53-6 |
| Molecular Weight (g/mol) | 211.297 |
| MDL Number | MFCD00005782 |
| SMILES | CCOC1=CC2=C(C=C1)NC(=S)S2 |
| Synonym | 6-ethoxy-2-mercaptobenzothiazole,6-ethoxybenzothiazole-2-thiol,2 3h-benzothiazolethione, 6-ethoxy,6-ethoxybenzothiazolethiol,usaf pd-58,6-ethoxy-2-benzothiazolethiol,6-ethoxybenzo d thiazole-2 3h-thione,6-ethoxy-1,3-benzothiazole-2-thiol,2-mercapto-6-ethoxybenzothiazole,2-benzothiazolethiol, 6-ethoxy |
| IUPAC Name | 6-ethoxy-3H-1,3-benzothiazole-2-thione |
| InChI Key | HOASVNMVYBSLSU-UHFFFAOYSA-N |
| Molecular Formula | C9H9NOS2 |
4-(2-Hydroxyethyl)pyridine, 98%
CAS: 5344-27-4 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00129038 InChI Key: DWPYQDGDWBKJQL-UHFFFAOYSA-N Synonym: 4-pyridineethanol,2-pyridin-4-yl ethanol,4-2-hydroxyethyl pyridine,4-ethanolpyridine,2-4-pyridyl ethanol,2-pyridin-4-yl ethan-1-ol,2-pyridin-4-yl-ethanol,2-gamma-pyridyl ethanol,unii-i89rdq5yd9 PubChem CID: 72921 IUPAC Name: 2-pyridin-4-ylethanol SMILES: C1=CN=CC=C1CCO
| PubChem CID | 72921 |
|---|---|
| CAS | 5344-27-4 |
| Molecular Weight (g/mol) | 123.155 |
| MDL Number | MFCD00129038 |
| SMILES | C1=CN=CC=C1CCO |
| Synonym | 4-pyridineethanol,2-pyridin-4-yl ethanol,4-2-hydroxyethyl pyridine,4-ethanolpyridine,2-4-pyridyl ethanol,2-pyridin-4-yl ethan-1-ol,2-pyridin-4-yl-ethanol,2-gamma-pyridyl ethanol,unii-i89rdq5yd9 |
| IUPAC Name | 2-pyridin-4-ylethanol |
| InChI Key | DWPYQDGDWBKJQL-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
4-Bromocrotonic acid benzoylmethyl ester, 97%, Thermo Scientific Chemicals
CAS: 154561-38-3 Molecular Formula: C12H11BrO3 Molecular Weight (g/mol): 283.12 MDL Number: MFCD00236054 InChI Key: JARTYZWEUJDLPS-UHFFFAOYSA-N Synonym: 2-oxo-2-phenylethyl 4-bromobut-2-enoate,acmc-20ajxj,2-butenoic acid,4-bromo-, 2-oxo-2-phenylethyl ester PubChem CID: 53412107 IUPAC Name: phenacyl 4-bromobut-2-enoate SMILES: BrCC=CC(=O)OCC(=O)C1=CC=CC=C1
| PubChem CID | 53412107 |
|---|---|
| CAS | 154561-38-3 |
| Molecular Weight (g/mol) | 283.12 |
| MDL Number | MFCD00236054 |
| SMILES | BrCC=CC(=O)OCC(=O)C1=CC=CC=C1 |
| Synonym | 2-oxo-2-phenylethyl 4-bromobut-2-enoate,acmc-20ajxj,2-butenoic acid,4-bromo-, 2-oxo-2-phenylethyl ester |
| IUPAC Name | phenacyl 4-bromobut-2-enoate |
| InChI Key | JARTYZWEUJDLPS-UHFFFAOYSA-N |
| Molecular Formula | C12H11BrO3 |
2-Methyl-2-propen-1-ol, 98%
CAS: 513-42-8 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00004737 InChI Key: BYDRTKVGBRTTIT-UHFFFAOYSA-N Synonym: methallyl alcohol,2-methyl-2-propen-1-ol,2-methylallyl alcohol,isopropenyl carbinol,2-propen-1-ol, 2-methyl,beta-methallyl alcohol,methacryl alcohol,3-hydroxy-2-methylpropene,beta-methylallyl alcohol,2-methyl-2-propene-1-ol PubChem CID: 10557 IUPAC Name: 2-methylprop-2-en-1-ol SMILES: CC(=C)CO
| PubChem CID | 10557 |
|---|---|
| CAS | 513-42-8 |
| Molecular Weight (g/mol) | 72.11 |
| MDL Number | MFCD00004737 |
| SMILES | CC(=C)CO |
| Synonym | methallyl alcohol,2-methyl-2-propen-1-ol,2-methylallyl alcohol,isopropenyl carbinol,2-propen-1-ol, 2-methyl,beta-methallyl alcohol,methacryl alcohol,3-hydroxy-2-methylpropene,beta-methylallyl alcohol,2-methyl-2-propene-1-ol |
| IUPAC Name | 2-methylprop-2-en-1-ol |
| InChI Key | BYDRTKVGBRTTIT-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
Ethyl isobutyrylacetate, 95%
CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C
| PubChem CID | 81583 |
|---|---|
| CAS | 7152-15-0 |
| Molecular Weight (g/mol) | 158.2 |
| MDL Number | MFCD00009198 |
| SMILES | CCOC(=O)CC(=O)C(C)C |
| Synonym | ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate |
| IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
| InChI Key | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
2-Chloro-6-methoxypyridine, 98%
CAS: 17228-64-7 Molecular Formula: C6H6ClNO Molecular Weight (g/mol): 143.57 MDL Number: MFCD00006265 InChI Key: VAVGOGHLNAJECD-UHFFFAOYSA-N Synonym: pyridine, 2-chloro-6-methoxy,2-methoxy-6-chloropyridine,6-chloro-2-methoxypyridine,2-chloro-6-methoxy-pyridine,2-chlor-6-methoxypyridin,pubchem13194,acmc-1cffb,6-methoxy-2-chloropyridine,2-chloro-6-methoxy pyridine,2-chloro-6-methyloxy pyridine PubChem CID: 87009 IUPAC Name: 2-chloro-6-methoxypyridine SMILES: COC1=NC(=CC=C1)Cl
| PubChem CID | 87009 |
|---|---|
| CAS | 17228-64-7 |
| Molecular Weight (g/mol) | 143.57 |
| MDL Number | MFCD00006265 |
| SMILES | COC1=NC(=CC=C1)Cl |
| Synonym | pyridine, 2-chloro-6-methoxy,2-methoxy-6-chloropyridine,6-chloro-2-methoxypyridine,2-chloro-6-methoxy-pyridine,2-chlor-6-methoxypyridin,pubchem13194,acmc-1cffb,6-methoxy-2-chloropyridine,2-chloro-6-methoxy pyridine,2-chloro-6-methyloxy pyridine |
| IUPAC Name | 2-chloro-6-methoxypyridine |
| InChI Key | VAVGOGHLNAJECD-UHFFFAOYSA-N |
| Molecular Formula | C6H6ClNO |
2-Acetyl-5-methylthiophene, 98%
CAS: 13679-74-8 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.20 MDL Number: MFCD00014529 InChI Key: YOSDTJYMDAEEAZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-methylthiophene,1-5-methylthiophen-2-yl ethanone,ketone, methyl 5-methyl-2-thienyl,1-5-methyl-2-thienyl ethan-1-one,2-methyl-5-acetylthiophene,ethanone, 1-5-methyl-2-thienyl,methylthienylcetone,1-5-methyl-2-thienyl ethanone,5-methyl-2-acetylthiophene,methyl 5-methyl-2-thienyl ketone PubChem CID: 83655 IUPAC Name: 1-(5-methylthiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(C)S1
| PubChem CID | 83655 |
|---|---|
| CAS | 13679-74-8 |
| Molecular Weight (g/mol) | 140.20 |
| MDL Number | MFCD00014529 |
| SMILES | CC(=O)C1=CC=C(C)S1 |
| Synonym | 2-acetyl-5-methylthiophene,1-5-methylthiophen-2-yl ethanone,ketone, methyl 5-methyl-2-thienyl,1-5-methyl-2-thienyl ethan-1-one,2-methyl-5-acetylthiophene,ethanone, 1-5-methyl-2-thienyl,methylthienylcetone,1-5-methyl-2-thienyl ethanone,5-methyl-2-acetylthiophene,methyl 5-methyl-2-thienyl ketone |
| IUPAC Name | 1-(5-methylthiophen-2-yl)ethanone |
| InChI Key | YOSDTJYMDAEEAZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
3'-Chloropropiophenone, 98%
CAS: 34841-35-5 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00009925 InChI Key: PQWGFUFROKIJBO-UHFFFAOYSA-N Synonym: 3'-chloropropiophenone,1-3-chlorophenyl propan-1-one,m-chloropropiophenone,3-chlorophenyl ethyl ketone,1-propanone, 1-3-chlorophenyl,1-3-chloro-phenyl-propan-1-one,m-chloro-propiophenone,pubchem3083,3'-chloro-propiophenone,3/'-chloropropiophenone PubChem CID: 587128 IUPAC Name: 1-(3-chlorophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)Cl
| PubChem CID | 587128 |
|---|---|
| CAS | 34841-35-5 |
| Molecular Weight (g/mol) | 168.62 |
| MDL Number | MFCD00009925 |
| SMILES | CCC(=O)C1=CC(=CC=C1)Cl |
| Synonym | 3'-chloropropiophenone,1-3-chlorophenyl propan-1-one,m-chloropropiophenone,3-chlorophenyl ethyl ketone,1-propanone, 1-3-chlorophenyl,1-3-chloro-phenyl-propan-1-one,m-chloro-propiophenone,pubchem3083,3'-chloro-propiophenone,3/'-chloropropiophenone |
| IUPAC Name | 1-(3-chlorophenyl)propan-1-one |
| InChI Key | PQWGFUFROKIJBO-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO |
2-Acetyl-6-methylpyridine, 98%
CAS: 6940-57-4 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD06658293 InChI Key: FPQMUQPPAYCAME-UHFFFAOYSA-N Synonym: 2-acetyl-6-methylpyridine,1-6-methylpyridin-2-yl ethanone,1-6-methylpyridin-2-yl ethan-1-one,ketone, methyl 6-methyl-2-pyridyl,6-acetyl-2-picoline,1-6-methyl-pyridin-2-yl-ethanone,1-6-methyl-2-pyridinyl ethanone,6-methyl-2-acetylpyridine,ethanone, 1-6-methyl-2-pyridinyl,6-acetyl-2-methylpyridine PubChem CID: 138872 IUPAC Name: 1-(6-methylpyridin-2-yl)ethanone SMILES: CC1=CC=CC(=N1)C(=O)C
| PubChem CID | 138872 |
|---|---|
| CAS | 6940-57-4 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD06658293 |
| SMILES | CC1=CC=CC(=N1)C(=O)C |
| Synonym | 2-acetyl-6-methylpyridine,1-6-methylpyridin-2-yl ethanone,1-6-methylpyridin-2-yl ethan-1-one,ketone, methyl 6-methyl-2-pyridyl,6-acetyl-2-picoline,1-6-methyl-pyridin-2-yl-ethanone,1-6-methyl-2-pyridinyl ethanone,6-methyl-2-acetylpyridine,ethanone, 1-6-methyl-2-pyridinyl,6-acetyl-2-methylpyridine |
| IUPAC Name | 1-(6-methylpyridin-2-yl)ethanone |
| InChI Key | FPQMUQPPAYCAME-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
Isochroman, 99%
CAS: 493-05-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00006913 InChI Key: HEBMCVBCEDMUOF-UHFFFAOYSA-N Synonym: isochroman,isochromane,3,4-dihydro-1h-2-benzopyran,1h-2-benzopyran, 3,4-dihydro,3,4-dihydro-1h-benzo c pyran,pubchem20553,acmc-209kfu,isochroman 10g,ksc237m1l PubChem CID: 96266 ChEBI: CHEBI:33225 IUPAC Name: 3,4-dihydro-1H-isochromene SMILES: C1CC2=CC=CC=C2CO1
| PubChem CID | 96266 |
|---|---|
| CAS | 493-05-0 |
| Molecular Weight (g/mol) | 134.18 |
| ChEBI | CHEBI:33225 |
| MDL Number | MFCD00006913 |
| SMILES | C1CC2=CC=CC=C2CO1 |
| Synonym | isochroman,isochromane,3,4-dihydro-1h-2-benzopyran,1h-2-benzopyran, 3,4-dihydro,3,4-dihydro-1h-benzo c pyran,pubchem20553,acmc-209kfu,isochroman 10g,ksc237m1l |
| IUPAC Name | 3,4-dihydro-1H-isochromene |
| InChI Key | HEBMCVBCEDMUOF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2-Propionylfuran, 97%
CAS: 3194-15-8 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00020936 InChI Key: HCPORNAVHSWTOJ-UHFFFAOYSA-N Synonym: 2-propionylfuran,1-2-furyl propan-1-one,1-furan-2-yl propan-1-one,1-propanone, 1-2-furanyl,2-furyl ethyl ketone,ethyl 2-furyl ketone,furyl ethyl ketone,1-propanone, 1-2-furyl,ethyl furyl ketone,2-propanoylfuran PubChem CID: 76662 IUPAC Name: 1-(furan-2-yl)propan-1-one SMILES: CCC(=O)C1=CC=CO1
| PubChem CID | 76662 |
|---|---|
| CAS | 3194-15-8 |
| Molecular Weight (g/mol) | 124.14 |
| MDL Number | MFCD00020936 |
| SMILES | CCC(=O)C1=CC=CO1 |
| Synonym | 2-propionylfuran,1-2-furyl propan-1-one,1-furan-2-yl propan-1-one,1-propanone, 1-2-furanyl,2-furyl ethyl ketone,ethyl 2-furyl ketone,furyl ethyl ketone,1-propanone, 1-2-furyl,ethyl furyl ketone,2-propanoylfuran |
| IUPAC Name | 1-(furan-2-yl)propan-1-one |
| InChI Key | HCPORNAVHSWTOJ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
5-(2-Furyl)pyridine-2-carbaldehyde, 95%, Thermo Scientific™
CAS: 886851-45-2 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.171 MDL Number: MFCD10700053 InChI Key: GUIKMKZMLLANPU-UHFFFAOYSA-N Synonym: 5-2-furyl pyridine-2-carbaldehyde,5-furan-2-yl pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,5-2-furanyl PubChem CID: 42555941 IUPAC Name: 5-(furan-2-yl)pyridine-2-carbaldehyde SMILES: C1=COC(=C1)C2=CN=C(C=C2)C=O
| PubChem CID | 42555941 |
|---|---|
| CAS | 886851-45-2 |
| Molecular Weight (g/mol) | 173.171 |
| MDL Number | MFCD10700053 |
| SMILES | C1=COC(=C1)C2=CN=C(C=C2)C=O |
| Synonym | 5-2-furyl pyridine-2-carbaldehyde,5-furan-2-yl pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde,5-2-furanyl |
| IUPAC Name | 5-(furan-2-yl)pyridine-2-carbaldehyde |
| InChI Key | GUIKMKZMLLANPU-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2 |
3-Mercapto-1-propanol, 97+%
CAS: 19721-22-3 Molecular Formula: C3H8OS Molecular Weight (g/mol): 92.16 MDL Number: MFCD00192262 InChI Key: SHLSSLVZXJBVHE-UHFFFAOYSA-N Synonym: 3-mercapto-1-propanol,1-propanol, 3-mercapto,3-mercaptopropanol,3-hydroxypropanethiol,3-hydroxypropyl mercaptan,3-mecapto-1-propanol,3-mecaptopropan-1-ol,1-mercapto-3-propanol,3-hydroxypropylmercaptan,3-mercaptopropan-1-ol PubChem CID: 88211 IUPAC Name: 3-sulfanylpropan-1-ol SMILES: C(CO)CS
| PubChem CID | 88211 |
|---|---|
| CAS | 19721-22-3 |
| Molecular Weight (g/mol) | 92.16 |
| MDL Number | MFCD00192262 |
| SMILES | C(CO)CS |
| Synonym | 3-mercapto-1-propanol,1-propanol, 3-mercapto,3-mercaptopropanol,3-hydroxypropanethiol,3-hydroxypropyl mercaptan,3-mecapto-1-propanol,3-mecaptopropan-1-ol,1-mercapto-3-propanol,3-hydroxypropylmercaptan,3-mercaptopropan-1-ol |
| IUPAC Name | 3-sulfanylpropan-1-ol |
| InChI Key | SHLSSLVZXJBVHE-UHFFFAOYSA-N |
| Molecular Formula | C3H8OS |
2'-Bromo-4'-fluoroacetophenone, 98%
CAS: 1006-39-9 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 MDL Number: MFCD00077464 InChI Key: RCXFSBRMWBFWMH-UHFFFAOYSA-N Synonym: 2'-bromo-4'-fluoroacetophenone,1-2-bromo-4-fluorophenyl ethanone,1-acetyl-2-bromo-4-fluorobenzene,1-2-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-2-bromo-4-fluorophenyl,1-2-bromo-4-fluoro-phenyl ethanone,pubchem8533,acmc-2097rj,ksc499c4r,timtec-bb sbb006561 PubChem CID: 2736304 IUPAC Name: 1-(2-bromo-4-fluorophenyl)ethanone SMILES: CC(=O)C1=C(Br)C=C(F)C=C1
| PubChem CID | 2736304 |
|---|---|
| CAS | 1006-39-9 |
| Molecular Weight (g/mol) | 217.04 |
| MDL Number | MFCD00077464 |
| SMILES | CC(=O)C1=C(Br)C=C(F)C=C1 |
| Synonym | 2'-bromo-4'-fluoroacetophenone,1-2-bromo-4-fluorophenyl ethanone,1-acetyl-2-bromo-4-fluorobenzene,1-2-bromo-4-fluorophenyl ethan-1-one,ethanone, 1-2-bromo-4-fluorophenyl,1-2-bromo-4-fluoro-phenyl ethanone,pubchem8533,acmc-2097rj,ksc499c4r,timtec-bb sbb006561 |
| IUPAC Name | 1-(2-bromo-4-fluorophenyl)ethanone |
| InChI Key | RCXFSBRMWBFWMH-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |