Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid
TL;DR: Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid (CAS 14066-54-7) is a chemical compound with molecular formula C9H7NOS and molecular weight 177.02484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-cyano 2-phenylethanethioate
Also Known As: S-cyano 2-phenylethanethioate, 2-phenyl-1-thiocyanato-ethanone, Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid, Benzeneethanethioic acid, anhydrosulfide with thiocyanic acid
Technical Specifications
| Molecular Formula | C9H7NOS |
| Molecular Weight | 177.02484 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.02484 Da |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
| SMILES | C1=CC=C(C=C1)CC(=O)SC#N |
| InChIKey | XSUCZPWDHFXHBW-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid
Property Insights of Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid. 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
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 177.02484 g/mol.
Where can I buy Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid?
You can request a quote for Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid?
Yes, CoreyChem provides custom synthesis services for Benzeneethanethioicacid,anhydrosulfidewiththiocyanicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.