Benzenecarboximidothioic acid, N-methyl-, methyl ester
TL;DR: Benzenecarboximidothioic acid, N-methyl-, methyl ester (CAS 40780-82-3) is a chemical compound with molecular formula C9H11NS and molecular weight 165.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-methylbenzenecarboximidothioate
Also Known As: N,S-Dimethylthiobenzimidat, methyl N-methylbenzenecarboximidothioate, Benzenecarboximidothioic acid, N-methyl-, methyl ester, methyl N-[(E)-methyl]benzenecarbimidothioate, N-methyl-1-methylsulfanyl-1-phenylmethanimine
| Molecular Formula | C9H11NS |
|---|---|
| Molecular Weight | 165.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.06122 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 40780-82-3 |
|---|---|
| SMILES | CN=C(C1=CC=CC=C1)SC |
| InChIKey | PCHKPGSXUAGLCS-UHFFFAOYSA-N |
Product Overview
Benzenecarboximidothioic acid, N-methyl-, methyl ester (CAS 40780-82-3), with molecular formula C9H11NS and molecular weight 165.06 g/mol. IUPAC: methyl N-methylbenzenecarboximidothioate.
Chemical Property Profile of Benzenecarboximidothioic acid, N-methyl-, methyl ester
Property Insights of Benzenecarboximidothioic acid, N-methyl-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenecarboximidothioic acid, N-methyl-, methyl ester. With a topological polar surface area (TPSA) of 37.7 Ų, Benzenecarboximidothioic acid, N-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarboximidothioic acid, N-methyl-, methyl ester has 0 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 Benzenecarboximidothioic acid, N-methyl-, methyl ester?
The CAS number of Benzenecarboximidothioic acid, N-methyl-, methyl ester is 40780-82-3.
What is the molecular formula of Benzenecarboximidothioic acid, N-methyl-, methyl ester?
The molecular formula of Benzenecarboximidothioic acid, N-methyl-, methyl ester is C9H11NS.
What is the molecular weight of Benzenecarboximidothioic acid, N-methyl-, methyl ester?
The molecular weight of Benzenecarboximidothioic acid, N-methyl-, methyl ester is 165.06 g/mol.
Where can I buy Benzenecarboximidothioic acid, N-methyl-, methyl ester?
You can request a quote for Benzenecarboximidothioic acid, N-methyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarboximidothioic acid, N-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarboximidothioic acid, N-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.