N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide
TL;DR: N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide (CAS 4955-59-3) 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-(3-chloro-4-methylphenyl)-1-cyanomethanethioamide
Also Known As: NCI60_003010, N-(3-chloro-4-methylphenyl)-1-cyanomethanethioamide, (2, (R),6, (R),9
| 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 | 381.69135 |
Chemical Identifiers
| CAS Number | 4955-59-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)C#N)Cl |
Product Overview
N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide (CAS 4955-59-3), with molecular formula C9H7ClN2S and molecular weight 210.00 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-1-cyanomethanethioamide.
Chemical Property Profile of N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide
Property Insights of N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide
The XLogP value of 2.9113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide. With a topological polar surface area (TPSA) of 35.82 Ų, N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide 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-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide?
The CAS number of N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide is 4955-59-3.
What is the molecular formula of N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide?
The molecular formula of N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide is C9H7ClN2S.
What is the molecular weight of N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide?
The molecular weight of N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide is 210.00 g/mol.
Where can I buy N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide?
You can request a quote for N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.