Carbamothioic acid, methyl-, S-phenyl ester
TL;DR: Carbamothioic acid, methyl-, S-phenyl ester (CAS 13509-39-2) is a chemical compound with molecular formula C8H9NOS and molecular weight 167.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl N-methylcarbamothioate
Also Known As: S-Phenyl methylthiocarbamate, S-phenyl N-methylcarbamothioate, Carbamothioic acid, methyl-, S-phenyl ester, S-phenyl methylcarbamothioate, Phenyl N-methylthiolcarbamate
| Molecular Formula | C8H9NOS |
|---|---|
| Molecular Weight | 167.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.04048 |
| Heavy Atoms | 11 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 13509-39-2 |
|---|---|
| SMILES | CNC(=O)SC1=CC=CC=C1 |
| InChIKey | NPQONXIVTPCTNX-UHFFFAOYSA-N |
Product Overview
Carbamothioic acid, methyl-, S-phenyl ester (CAS 13509-39-2), with molecular formula C8H9NOS and molecular weight 167.04 g/mol. IUPAC: S-phenyl N-methylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, methyl-, S-phenyl ester
Property Insights of Carbamothioic acid, methyl-, S-phenyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, methyl-, S-phenyl ester. With a topological polar surface area (TPSA) of 54.4 Ų, Carbamothioic acid, methyl-, S-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, methyl-, S-phenyl ester 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 Carbamothioic acid, methyl-, S-phenyl ester?
The CAS number of Carbamothioic acid, methyl-, S-phenyl ester is 13509-39-2.
What is the molecular formula of Carbamothioic acid, methyl-, S-phenyl ester?
The molecular formula of Carbamothioic acid, methyl-, S-phenyl ester is C8H9NOS.
What is the molecular weight of Carbamothioic acid, methyl-, S-phenyl ester?
The molecular weight of Carbamothioic acid, methyl-, S-phenyl ester is 167.04 g/mol.
Where can I buy Carbamothioic acid, methyl-, S-phenyl ester?
You can request a quote for Carbamothioic acid, methyl-, S-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, methyl-, S-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, methyl-, S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.