Benzenecarbothioic acid, 4-heptyl-, S-(4-cyanophenyl) ester
S-(4-cyanophenyl) 4-heptylbenzenecarbothioate
Also Known As: 1,3-Dibutoxy-2-propanol acetate|Benzenecarbothioic acid, 4-heptyl-, S-(4-cyanophenyl) ester|s-(4-cyanophenyl) 4-heptylbenzenecarbothioate|4-(4-HEPTYLBENZOYLSULFANYL)BENZONITRILE|4-Heptyl-thiobenzoic acid S-(4-cyano-phenyl) ester|S-(4-Cyanophenyl) 4-heptylbenzene-1-carbothioate|4-Heptyl(thiobenzoic acid)S-(4-cyanophenyl) ester
| Molecular Formula | C21H23NOS |
|---|---|
| Molecular Weight | 337.15002 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.15002 |
| Heavy Atoms | 24 |
| Complexity | 683.3 |
Chemical Identifiers
| CAS Number | 64408-99-7 |
|---|---|
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)C#N |
Product Overview
Benzenecarbothioic acid, 4-heptyl-, S-(4-cyanophenyl) ester (CAS 64408-99-7), with molecular formula C21H23NOS and molecular weight 337.15002 g/mol. IUPAC: S-(4-cyanophenyl) 4-heptylbenzenecarbothioate.
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