1-Cyanothioformanilide
TL;DR: 1-Cyanothioformanilide (CAS 4955-82-2) is a chemical compound with molecular formula C8H6N2S and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-N-phenylmethanethioamide
Also Known As: 1-Cyanothioformanilide, Phenylcarbamothioyl cyanide, Cyanthioformanilid, N-Phenylcyanothioformamide, Phenylcarbamothioylcyanide
| Molecular Formula | C8H6N2S |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 1.94948 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.02516 |
| Heavy Atoms | 11 |
| Complexity | 286.71042 |
Chemical Identifiers
| CAS Number | 4955-82-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)C#N |
Product Overview
1-Cyanothioformanilide (CAS 4955-82-2), with molecular formula C8H6N2S and molecular weight 162.03 g/mol. IUPAC: 1-cyano-N-phenylmethanethioamide.
Chemical Property Profile of 1-Cyanothioformanilide
Property Insights of 1-Cyanothioformanilide
The XLogP value of 1.94948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyanothioformanilide. With a topological polar surface area (TPSA) of 35.82 Ų, 1-Cyanothioformanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyanothioformanilide has 1 hydrogen bond donor(s) and 2 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 1-Cyanothioformanilide?
The CAS number of 1-Cyanothioformanilide is 4955-82-2.
What is the molecular formula of 1-Cyanothioformanilide?
The molecular formula of 1-Cyanothioformanilide is C8H6N2S.
What is the molecular weight of 1-Cyanothioformanilide?
The molecular weight of 1-Cyanothioformanilide is 162.03 g/mol.
Where can I buy 1-Cyanothioformanilide?
You can request a quote for 1-Cyanothioformanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanothioformanilide?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanothioformanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.