Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid
TL;DR: Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid (CAS 14066-54-7) is a chemical compound with molecular formula C9H7NOS and molecular weight 177.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-cyano 2-phenylethanethioate
Also Known As: S-cyano 2-phenylethanethioate, 2-phenyl-1-thiocyanato-ethanone, Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid, Benzeneethanethioic acid, anhydrosulfide with thiocyanic acid
| Molecular Formula | C9H7NOS |
|---|---|
| Molecular Weight | 177.02 g/mol |
| LogP | 1.96998 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.02484 |
| Heavy Atoms | 12 |
| Complexity | 302.05463 |
Chemical Identifiers
| CAS Number | 14066-54-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)SC#N |
Product Overview
Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid (CAS 14066-54-7), with molecular formula C9H7NOS and molecular weight 177.02 g/mol. IUPAC: S-cyano 2-phenylethanethioate.
Chemical Property Profile of Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid
Property Insights of Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid
The XLogP value of 1.96998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid. With a topological polar surface area (TPSA) of 40.86 Ų, Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid?
The CAS number of Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid is 14066-54-7.
What is the molecular formula of Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid?
The molecular formula of Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid is C9H7NOS.
What is the molecular weight of Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid?
The molecular weight of Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid is 177.02 g/mol.
Where can I buy Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid?
You can request a quote for Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid?
Yes, KEHONG BIO provides custom synthesis services for Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.