![1-[(Cyanocarbothioyl)amino]-4-methylbenzene structure](/static/products/495/4955-68-4.png)
1-[(Cyanocarbothioyl)amino]-4-methylbenzene
TL;DR: 1-[(Cyanocarbothioyl)amino]-4-methylbenzene (CAS 4955-68-4) is a chemical compound with molecular formula C9H8N2S and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-N-(4-methylphenyl)methanethioamide
Also Known As: N-(p-tolyl)cyanothioformamide, 1-cyano-N-(4-methylphenyl)methanethioamide, N-(4-Methylphenyl)-1-cyanoformthioamide, 1-[(cyanocarbothioyl)amino]-4-methylbenzene, 1-[(cyanocarbonothioyl)amino]-4-methylbenzene
| Molecular Formula | C9H8N2S |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 2.2579 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04082 |
| Heavy Atoms | 12 |
| Complexity | 321.37692 |
Chemical Identifiers
| CAS Number | 4955-68-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)C#N |
Product Overview
1-[(Cyanocarbothioyl)amino]-4-methylbenzene (CAS 4955-68-4), with molecular formula C9H8N2S and molecular weight 176.04 g/mol. IUPAC: 1-cyano-N-(4-methylphenyl)methanethioamide.
Chemical Property Profile of 1-[(Cyanocarbothioyl)amino]-4-methylbenzene
Property Insights of 1-[(Cyanocarbothioyl)amino]-4-methylbenzene
The XLogP value of 2.2579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(Cyanocarbothioyl)amino]-4-methylbenzene. With a topological polar surface area (TPSA) of 35.82 Ų, 1-[(Cyanocarbothioyl)amino]-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Cyanocarbothioyl)amino]-4-methylbenzene 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-[(Cyanocarbothioyl)amino]-4-methylbenzene?
The CAS number of 1-[(Cyanocarbothioyl)amino]-4-methylbenzene is 4955-68-4.
What is the molecular formula of 1-[(Cyanocarbothioyl)amino]-4-methylbenzene?
The molecular formula of 1-[(Cyanocarbothioyl)amino]-4-methylbenzene is C9H8N2S.
What is the molecular weight of 1-[(Cyanocarbothioyl)amino]-4-methylbenzene?
The molecular weight of 1-[(Cyanocarbothioyl)amino]-4-methylbenzene is 176.04 g/mol.
Where can I buy 1-[(Cyanocarbothioyl)amino]-4-methylbenzene?
You can request a quote for 1-[(Cyanocarbothioyl)amino]-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Cyanocarbothioyl)amino]-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Cyanocarbothioyl)amino]-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.