N-(2-Chloro-6-methylphenyl)cyanothioformamide
TL;DR: N-(2-Chloro-6-methylphenyl)cyanothioformamide (CAS 4953-72-4) is a chemical compound with molecular formula C9H7ClN2S and molecular weight 210.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-6-methylphenyl)-1-cyanomethanethioamide
Also Known As: N-(2-CHLORO-6-METHYLPHENYL)CYANOTHIOFORMAMIDE, (2-Chloro-6-methylphenyl)carbamothioyl cyanide, N-(2-chloro-6-methylphenyl)-1-cyanomethanethioamide, N-(2-chloro-6-methyl-phenyl)-1-cyano-methanethioamide, 668-659-2
| Molecular Formula | C9H7ClN2S |
|---|---|
| Molecular Weight | 210.00 g/mol |
| LogP | 2.9113 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.00185 |
| Heavy Atoms | 13 |
| Complexity | 361.44135 |
Chemical Identifiers
| CAS Number | 4953-72-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=S)C#N |
Product Overview
N-(2-Chloro-6-methylphenyl)cyanothioformamide (CAS 4953-72-4), with molecular formula C9H7ClN2S and molecular weight 210.00 g/mol. IUPAC: N-(2-chloro-6-methylphenyl)-1-cyanomethanethioamide.
Chemical Property Profile of N-(2-Chloro-6-methylphenyl)cyanothioformamide
Property Insights of N-(2-Chloro-6-methylphenyl)cyanothioformamide
The XLogP value of 2.9113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloro-6-methylphenyl)cyanothioformamide. With a topological polar surface area (TPSA) of 35.82 Ų, N-(2-Chloro-6-methylphenyl)cyanothioformamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Chloro-6-methylphenyl)cyanothioformamide 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 N-(2-Chloro-6-methylphenyl)cyanothioformamide?
The CAS number of N-(2-Chloro-6-methylphenyl)cyanothioformamide is 4953-72-4.
What is the molecular formula of N-(2-Chloro-6-methylphenyl)cyanothioformamide?
The molecular formula of N-(2-Chloro-6-methylphenyl)cyanothioformamide is C9H7ClN2S.
What is the molecular weight of N-(2-Chloro-6-methylphenyl)cyanothioformamide?
The molecular weight of N-(2-Chloro-6-methylphenyl)cyanothioformamide is 210.00 g/mol.
Where can I buy N-(2-Chloro-6-methylphenyl)cyanothioformamide?
You can request a quote for N-(2-Chloro-6-methylphenyl)cyanothioformamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloro-6-methylphenyl)cyanothioformamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloro-6-methylphenyl)cyanothioformamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.