N-Methylbenzenecarbothioamide
TL;DR: N-Methylbenzenecarbothioamide (CAS 5310-14-5) is a chemical compound with molecular formula C8H9NS and molecular weight 151.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methylbenzenecarbothioamide
Also Known As: N-Methylbenzenecarbothioamide, N-Methylthiobenzamide, Benzamide, N-methylthio-, N-Methylbenzothioamide, Benzamide,N-methylthio
| Molecular Formula | C8H9NS |
|---|---|
| Molecular Weight | 151.05 g/mol |
| LogP | 1.5815 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.04558 |
| Heavy Atoms | 10 |
| Complexity | 217.95901 |
Chemical Identifiers
| CAS Number | 5310-14-5 |
|---|---|
| SMILES | CNC(=S)C1=CC=CC=C1 |
Product Overview
N-Methylbenzenecarbothioamide (CAS 5310-14-5), with molecular formula C8H9NS and molecular weight 151.05 g/mol. IUPAC: N-methylbenzenecarbothioamide.
Chemical Property Profile of N-Methylbenzenecarbothioamide
Property Insights of N-Methylbenzenecarbothioamide
The XLogP value of 1.5815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylbenzenecarbothioamide. With a topological polar surface area (TPSA) of 12.03 Ų, N-Methylbenzenecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylbenzenecarbothioamide has 1 hydrogen bond donor(s) and 1 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-Methylbenzenecarbothioamide?
The CAS number of N-Methylbenzenecarbothioamide is 5310-14-5.
What is the molecular formula of N-Methylbenzenecarbothioamide?
The molecular formula of N-Methylbenzenecarbothioamide is C8H9NS.
What is the molecular weight of N-Methylbenzenecarbothioamide?
The molecular weight of N-Methylbenzenecarbothioamide is 151.05 g/mol.
Where can I buy N-Methylbenzenecarbothioamide?
You can request a quote for N-Methylbenzenecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylbenzenecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-Methylbenzenecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.