Organic compounds
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AABD-SH (=4-Acetamido-7-mercapto-2,1,3-benzoxadiazole) 95.0+%, TCI America™
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CAS: 254973-02-9 Molecular Formula: C8H7N3O2S Molecular Weight (g/mol): 209.223 MDL Number: MFCD04038408 InChI Key: JPARFDNKICYVCE-UHFFFAOYSA-N Synonym: 4-Acetamido-7-mercaptobenzofurazan, 4-Acetamido-7-mercapto-2,1,3-benzoxadiazole PubChem CID: 44630078 IUPAC Name: N-(4-sulfanylidene-1H-2,1,3-benzoxadiazol-7-yl)acetamide SMILES: CC(=O)NC1=C2C(=NON2)C(=S)C=C1
| PubChem CID | 44630078 |
|---|---|
| CAS | 254973-02-9 |
| Molecular Weight (g/mol) | 209.223 |
| MDL Number | MFCD04038408 |
| SMILES | CC(=O)NC1=C2C(=NON2)C(=S)C=C1 |
| Synonym | 4-Acetamido-7-mercaptobenzofurazan, 4-Acetamido-7-mercapto-2,1,3-benzoxadiazole |
| IUPAC Name | N-(4-sulfanylidene-1H-2,1,3-benzoxadiazol-7-yl)acetamide |
| InChI Key | JPARFDNKICYVCE-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3O2S |
1,2-Bis(phenylsulfinyl)ethane 97.0+%, TCI America™
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CAS: 6099-21-4 Molecular Formula: C14H14O2S2 Molecular Weight (g/mol): 278.38 MDL Number: MFCD11846120 InChI Key: CSZMCUCIIIAHQD-UHFFFAOYNA-N PubChem CID: 6371710 IUPAC Name: [2-(benzenesulfinyl)ethanesulfinyl]benzene SMILES: O=S(CCS(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 6371710 |
|---|---|
| CAS | 6099-21-4 |
| Molecular Weight (g/mol) | 278.38 |
| MDL Number | MFCD11846120 |
| SMILES | O=S(CCS(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | [2-(benzenesulfinyl)ethanesulfinyl]benzene |
| InChI Key | CSZMCUCIIIAHQD-UHFFFAOYNA-N |
| Molecular Formula | C14H14O2S2 |
Acetonitrile 99.5+%, TCI America™
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CAS: 75-05-8 Molecular Formula: C2H3N Molecular Weight (g/mol): 41.053 MDL Number: MFCD00001878 InChI Key: WEVYAHXRMPXWCK-UHFFFAOYSA-N Synonym: methyl cyanide,cyanomethane,ethanenitrile,methanecarbonitrile,ethyl nitrile,methane, cyano,acetonitrile,cyanure de methyl,methylkyanid,mecn PubChem CID: 6342 ChEBI: CHEBI:38472 IUPAC Name: acetonitrile SMILES: CC#N
| PubChem CID | 6342 |
|---|---|
| CAS | 75-05-8 |
| Molecular Weight (g/mol) | 41.053 |
| ChEBI | CHEBI:38472 |
| MDL Number | MFCD00001878 |
| SMILES | CC#N |
| Synonym | methyl cyanide,cyanomethane,ethanenitrile,methanecarbonitrile,ethyl nitrile,methane, cyano,acetonitrile,cyanure de methyl,methylkyanid,mecn |
| IUPAC Name | acetonitrile |
| InChI Key | WEVYAHXRMPXWCK-UHFFFAOYSA-N |
| Molecular Formula | C2H3N |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde 97.0+%, TCI America™
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CAS: 128376-64-7 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD04972375 InChI Key: DMBMXJJGPXADPO-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester PubChem CID: 2769536 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1
| PubChem CID | 2769536 |
|---|---|
| CAS | 128376-64-7 |
| Molecular Weight (g/mol) | 232.09 |
| MDL Number | MFCD04972375 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI Key | DMBMXJJGPXADPO-UHFFFAOYSA-N |
| Molecular Formula | C13H17BO3 |
1-Tridecanol 98.0+%, TCI America™
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CAS: 112-70-9 Molecular Formula: C13H28O Molecular Weight (g/mol): 200.366 MDL Number: MFCD00004756 InChI Key: XFRVVPUIAFSTFO-UHFFFAOYSA-N Synonym: 1-tridecanol,tridecanol,tridecyl alcohol,n-tridecan-1-ol,n-tridecanol,n-tridecyl alcohol,alcohols, c12-14,ccris 8591,dsstox_cid_1947,dsstox_rid_76420 PubChem CID: 8207 ChEBI: CHEBI:34123 IUPAC Name: tridecan-1-ol SMILES: CCCCCCCCCCCCCO
| PubChem CID | 8207 |
|---|---|
| CAS | 112-70-9 |
| Molecular Weight (g/mol) | 200.366 |
| ChEBI | CHEBI:34123 |
| MDL Number | MFCD00004756 |
| SMILES | CCCCCCCCCCCCCO |
| Synonym | 1-tridecanol,tridecanol,tridecyl alcohol,n-tridecan-1-ol,n-tridecanol,n-tridecyl alcohol,alcohols, c12-14,ccris 8591,dsstox_cid_1947,dsstox_rid_76420 |
| IUPAC Name | tridecan-1-ol |
| InChI Key | XFRVVPUIAFSTFO-UHFFFAOYSA-N |
| Molecular Formula | C13H28O |
2-Fluoro-5-nitrotoluene 97.0+%, TCI America™
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CAS: 455-88-9 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.13 MDL Number: MFCD00007284 InChI Key: XUCYJGMIICONES-UHFFFAOYSA-N Synonym: 2-fluoro-5-nitrotoluene,benzene, 1-fluoro-2-methyl-4-nitro,4-fluoro-3-methylnitrobenzene,toluene, 2-fluoro-5-nitro,1-fluoro-2-methyl-4-nitro-benzene,5-nitro-2-fluorotoluene,3-methyl-4-fluoronitrobenzene,pubchem1593,2-fluoro-5-nitro-toluene,5-nitro-2-fluoro toluene PubChem CID: 68001 IUPAC Name: 1-fluoro-2-methyl-4-nitrobenzene SMILES: CC1=CC(=CC=C1F)[N+]([O-])=O
| PubChem CID | 68001 |
|---|---|
| CAS | 455-88-9 |
| Molecular Weight (g/mol) | 155.13 |
| MDL Number | MFCD00007284 |
| SMILES | CC1=CC(=CC=C1F)[N+]([O-])=O |
| Synonym | 2-fluoro-5-nitrotoluene,benzene, 1-fluoro-2-methyl-4-nitro,4-fluoro-3-methylnitrobenzene,toluene, 2-fluoro-5-nitro,1-fluoro-2-methyl-4-nitro-benzene,5-nitro-2-fluorotoluene,3-methyl-4-fluoronitrobenzene,pubchem1593,2-fluoro-5-nitro-toluene,5-nitro-2-fluoro toluene |
| IUPAC Name | 1-fluoro-2-methyl-4-nitrobenzene |
| InChI Key | XUCYJGMIICONES-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
2-(Methylthio)acetamide 98.0+%, TCI America™
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CAS: 22551-24-2 Molecular Formula: C3H7NOS Molecular Weight (g/mol): 105.155 MDL Number: MFCD00041321 InChI Key: OBENGAMZEGRSIC-UHFFFAOYSA-N PubChem CID: 547873 IUPAC Name: 2-methylsulfanylacetamide SMILES: CSCC(=O)N
| PubChem CID | 547873 |
|---|---|
| CAS | 22551-24-2 |
| Molecular Weight (g/mol) | 105.155 |
| MDL Number | MFCD00041321 |
| SMILES | CSCC(=O)N |
| IUPAC Name | 2-methylsulfanylacetamide |
| InChI Key | OBENGAMZEGRSIC-UHFFFAOYSA-N |
| Molecular Formula | C3H7NOS |
1-(2-Methylphenoxy)-2-propanol 90.0+%, TCI America™
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CAS: 4317-61-7 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00191542 InChI Key: ISIQEWJJVXFCDP-UHFFFAOYSA-N Synonym: 1-(o-Tolyloxy)-2-propanol PubChem CID: 107264 IUPAC Name: 1-(2-methylphenoxy)propan-2-ol SMILES: CC1=CC=CC=C1OCC(C)O
| PubChem CID | 107264 |
|---|---|
| CAS | 4317-61-7 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD00191542 |
| SMILES | CC1=CC=CC=C1OCC(C)O |
| Synonym | 1-(o-Tolyloxy)-2-propanol |
| IUPAC Name | 1-(2-methylphenoxy)propan-2-ol |
| InChI Key | ISIQEWJJVXFCDP-UHFFFAOYSA-N |
| Molecular Formula | C10H14O2 |
Octaethylene Glycol Monomethyl Ether 96.0+%, TCI America™
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CAS: 25990-96-9 Molecular Formula: C17H36O9 Molecular Weight (g/mol): 384.47 MDL Number: MFCD06797152 InChI Key: SZGNWRSFHADOMY-UHFFFAOYSA-N Synonym: mPEG8-Alcohol PubChem CID: 526558 IUPAC Name: 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol SMILES: COCCOCCOCCOCCOCCOCCOCCOCCO
| PubChem CID | 526558 |
|---|---|
| CAS | 25990-96-9 |
| Molecular Weight (g/mol) | 384.47 |
| MDL Number | MFCD06797152 |
| SMILES | COCCOCCOCCOCCOCCOCCOCCOCCO |
| Synonym | mPEG8-Alcohol |
| IUPAC Name | 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol |
| InChI Key | SZGNWRSFHADOMY-UHFFFAOYSA-N |
| Molecular Formula | C17H36O9 |
2,6-Dichloro-4-nitroaniline 97.0+%, TCI America™
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CAS: 99-30-9 Molecular Formula: C6H4Cl2N2O2 Molecular Weight (g/mol): 207.01 MDL Number: MFCD00007677 InChI Key: BIXZHMJUSMUDOQ-UHFFFAOYSA-N Synonym: dichloran,dicloran,allisan,botran,dcna,ditranil,batran,bortran,resisan,dcna fungicide PubChem CID: 7430 ChEBI: CHEBI:27864 IUPAC Name: 2,6-dichloro-4-nitroaniline SMILES: C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
| PubChem CID | 7430 |
|---|---|
| CAS | 99-30-9 |
| Molecular Weight (g/mol) | 207.01 |
| ChEBI | CHEBI:27864 |
| MDL Number | MFCD00007677 |
| SMILES | C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-] |
| Synonym | dichloran,dicloran,allisan,botran,dcna,ditranil,batran,bortran,resisan,dcna fungicide |
| IUPAC Name | 2,6-dichloro-4-nitroaniline |
| InChI Key | BIXZHMJUSMUDOQ-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl2N2O2 |
3,3'-Bis(trimethylsilyl)biphenyl-4,4'-diyl Bis(trifluoromethanesulfonate) 98.0+%, TCI America™
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CAS: 828282-80-0 Molecular Formula: C20H24F6O6S2Si2 Molecular Weight (g/mol): 594.686 InChI Key: FDAGZCNNWNNCEK-UHFFFAOYSA-N PubChem CID: 12182649 IUPAC Name: [4-[4-(trifluoromethylsulfonyloxy)-3-trimethylsilylphenyl]-2-trimethylsilylphenyl] trifluoromethanesulfonate SMILES: C[Si](C)(C)C1=C(C=CC(=C1)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
| PubChem CID | 12182649 |
|---|---|
| CAS | 828282-80-0 |
| Molecular Weight (g/mol) | 594.686 |
| SMILES | C[Si](C)(C)C1=C(C=CC(=C1)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F |
| IUPAC Name | [4-[4-(trifluoromethylsulfonyloxy)-3-trimethylsilylphenyl]-2-trimethylsilylphenyl] trifluoromethanesulfonate |
| InChI Key | FDAGZCNNWNNCEK-UHFFFAOYSA-N |
| Molecular Formula | C20H24F6O6S2Si2 |
3-Cyano-4-methylpyridine 98.0+%, TCI America™
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CAS: 5444-01-9 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00234272 InChI Key: XLAPHZHNODDMDD-UHFFFAOYSA-N Synonym: 3-cyano-4-methylpyridine,4-methylnicotinonitrile,3-cyano-4-picoline,4-methyl-nicotinonitrile,3-pyridinecarbonitrile, 4-methyl,4-methyl-3-pyridinecarbonitrile,3-cyano-4-methylpyridine 3-cyano-4-picoline,pubchem6623,pubchem18426,4-methyl nicotinonitrile PubChem CID: 227806 IUPAC Name: 4-methylpyridine-3-carbonitrile SMILES: CC1=C(C=NC=C1)C#N
| PubChem CID | 227806 |
|---|---|
| CAS | 5444-01-9 |
| Molecular Weight (g/mol) | 118.14 |
| MDL Number | MFCD00234272 |
| SMILES | CC1=C(C=NC=C1)C#N |
| Synonym | 3-cyano-4-methylpyridine,4-methylnicotinonitrile,3-cyano-4-picoline,4-methyl-nicotinonitrile,3-pyridinecarbonitrile, 4-methyl,4-methyl-3-pyridinecarbonitrile,3-cyano-4-methylpyridine 3-cyano-4-picoline,pubchem6623,pubchem18426,4-methyl nicotinonitrile |
| IUPAC Name | 4-methylpyridine-3-carbonitrile |
| InChI Key | XLAPHZHNODDMDD-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
Si-TMT (=2,4,6-Trimercaptotriazine Silica Gel) (0.2-0.5mmol/g), TCI America™
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CAS: 1226494-16-1 Molecular Formula: C4H5N3S3 Molecular Weight (g/mol): 191.285 InChI Key: UVRDIFOZBJEFGI-UHFFFAOYSA-N Synonym: 2,4,6-Trimercaptotriazine Silica Gel PubChem CID: 12210973 IUPAC Name: 6-methylsulfanyl-1H-1,3,5-triazine-2,4-dithione SMILES: CSC1=NC(=S)NC(=S)N1
| PubChem CID | 12210973 |
|---|---|
| CAS | 1226494-16-1 |
| Molecular Weight (g/mol) | 191.285 |
| SMILES | CSC1=NC(=S)NC(=S)N1 |
| Synonym | 2,4,6-Trimercaptotriazine Silica Gel |
| IUPAC Name | 6-methylsulfanyl-1H-1,3,5-triazine-2,4-dithione |
| InChI Key | UVRDIFOZBJEFGI-UHFFFAOYSA-N |
| Molecular Formula | C4H5N3S3 |
3-Methyl-4-phenylthiazoline-2-thione 98.0+%, TCI America™
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CAS: 21402-19-7 Molecular Formula: C10H9NS2 Molecular Weight (g/mol): 207.31 MDL Number: MFCD00059731 InChI Key: YGZDFPNBMUHUON-UHFFFAOYSA-N PubChem CID: 519864 IUPAC Name: 3-methyl-4-phenyl-2,3-dihydro-1,3-thiazole-2-thione SMILES: CN1C(=S)SC=C1C1=CC=CC=C1
| PubChem CID | 519864 |
|---|---|
| CAS | 21402-19-7 |
| Molecular Weight (g/mol) | 207.31 |
| MDL Number | MFCD00059731 |
| SMILES | CN1C(=S)SC=C1C1=CC=CC=C1 |
| IUPAC Name | 3-methyl-4-phenyl-2,3-dihydro-1,3-thiazole-2-thione |
| InChI Key | YGZDFPNBMUHUON-UHFFFAOYSA-N |
| Molecular Formula | C10H9NS2 |
1,3-Dimethyluracil 98.0+%, TCI America™
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CAS: 874-14-6 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00038065 InChI Key: JSDBKAHWADVXFU-UHFFFAOYSA-N Synonym: 1,3-dimethyluracil,n1,n3-dimethyluracil,n,n'-dimethyluracil,1,3-dimethylpyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 1,3-dimethyl,2,4-dihydroxy-1,3-dimethylpyrimidine,uracil, 1,3-dimethyl,1,3-dimethyl-2,4 1h,3h-pyrimidinedione,1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione,1,3-dimethyl-1h-pyrimidine-2,4-dione PubChem CID: 70122 ChEBI: CHEBI:74763 IUPAC Name: 1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: CN1C=CC(=O)N(C)C1=O
| PubChem CID | 70122 |
|---|---|
| CAS | 874-14-6 |
| Molecular Weight (g/mol) | 140.14 |
| ChEBI | CHEBI:74763 |
| MDL Number | MFCD00038065 |
| SMILES | CN1C=CC(=O)N(C)C1=O |
| Synonym | 1,3-dimethyluracil,n1,n3-dimethyluracil,n,n'-dimethyluracil,1,3-dimethylpyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, 1,3-dimethyl,2,4-dihydroxy-1,3-dimethylpyrimidine,uracil, 1,3-dimethyl,1,3-dimethyl-2,4 1h,3h-pyrimidinedione,1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione,1,3-dimethyl-1h-pyrimidine-2,4-dione |
| IUPAC Name | 1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione |
| InChI Key | JSDBKAHWADVXFU-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |