N-(3-Chloro-2-methylphenyl)cyanothioformamide
TL;DR: N-(3-Chloro-2-methylphenyl)cyanothioformamide (CAS 13609-04-6) is a chemical compound with molecular formula C9H7ClN2S and molecular weight 210.00185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-chloro-2-methylphenyl)-1-cyanomethanethioamide
Also Known As: N-(3-CHLORO-2-METHYLPHENYL)CYANOTHIOFORMAMIDE, N-(3-chloro-2-methylphenyl)-1-cyanomethanethioamide, N-(3-chloro-2-methyl-phenyl)-1-cyano-methanethioamide, 668-656-6
Technical Specifications
| Molecular Formula | C9H7ClN2S |
| Molecular Weight | 210.00185 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.00185 Da |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
| SMILES | CC1=C(C=CC=C1Cl)NC(=S)C#N |
| InChIKey | YCQMDDCAGNRHAX-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-Chloro-2-methylphenyl)cyanothioformamide
Property Insights of N-(3-Chloro-2-methylphenyl)cyanothioformamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chloro-2-methylphenyl)cyanothioformamide. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Chloro-2-methylphenyl)cyanothioformamide. Following Lipinski's Rule of Five, N-(3-Chloro-2-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
What is the CAS number of N-(3-Chloro-2-methylphenyl)cyanothioformamide?
The CAS number of N-(3-Chloro-2-methylphenyl)cyanothioformamide is 13609-04-6.
What is the molecular formula of N-(3-Chloro-2-methylphenyl)cyanothioformamide?
The molecular formula of N-(3-Chloro-2-methylphenyl)cyanothioformamide is C9H7ClN2S.
What is the molecular weight of N-(3-Chloro-2-methylphenyl)cyanothioformamide?
The molecular weight of N-(3-Chloro-2-methylphenyl)cyanothioformamide is 210.00185 g/mol.
Where can I buy N-(3-Chloro-2-methylphenyl)cyanothioformamide?
You can request a quote for N-(3-Chloro-2-methylphenyl)cyanothioformamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-Chloro-2-methylphenyl)cyanothioformamide?
Yes, CoreyChem provides custom synthesis services for N-(3-Chloro-2-methylphenyl)cyanothioformamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.