Cyano-N-methylthioformamide
TL;DR: Cyano-N-methylthioformamide (CAS 13621-47-1) is a chemical compound with molecular formula C3H4N2S and molecular weight 100.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-N-methylmethanethioamide
Also Known As: 1-Cyano-n-methylthioformamide, Cyano-N-methylthioformamide, 1-cyano-N-methylmethanethioamide, Methylthiocarbamoyl cyanide, EINECS 237-105-8
| Molecular Formula | C3H4N2S |
|---|---|
| Molecular Weight | 100.01 g/mol |
| LogP | 0.05678 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.00952 |
| Heavy Atoms | 6 |
| Complexity | 91.45654 |
Chemical Identifiers
| CAS Number | 13621-47-1 |
|---|---|
| SMILES | CNC(=S)C#N |
Product Overview
Cyano-N-methylthioformamide (CAS 13621-47-1), with molecular formula C3H4N2S and molecular weight 100.01 g/mol. IUPAC: 1-cyano-N-methylmethanethioamide.
Chemical Property Profile of Cyano-N-methylthioformamide
Property Insights of Cyano-N-methylthioformamide
The XLogP value of 0.05678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyano-N-methylthioformamide. With a topological polar surface area (TPSA) of 35.82 Ų, Cyano-N-methylthioformamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyano-N-methylthioformamide 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 Cyano-N-methylthioformamide?
The CAS number of Cyano-N-methylthioformamide is 13621-47-1.
What is the molecular formula of Cyano-N-methylthioformamide?
The molecular formula of Cyano-N-methylthioformamide is C3H4N2S.
What is the molecular weight of Cyano-N-methylthioformamide?
The molecular weight of Cyano-N-methylthioformamide is 100.01 g/mol.
Where can I buy Cyano-N-methylthioformamide?
You can request a quote for Cyano-N-methylthioformamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyano-N-methylthioformamide?
Yes, KEHONG BIO provides custom synthesis services for Cyano-N-methylthioformamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.