Carbamothioic acid, methyl-, S-methyl ester
TL;DR: Carbamothioic acid, methyl-, S-methyl ester (CAS 22013-97-4) is a chemical compound with molecular formula C3H7NOS and molecular weight 105.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl N-methylcarbamothioate
Also Known As: S-Methyl N-methylthiocarbamate, S-methyl methylthiocarbamate, S-methyl methylcarbamothioate, S-methyl N-methylcarbamothioate, N-methyl(methylsulfanyl)formamide
| Molecular Formula | C3H7NOS |
|---|---|
| Molecular Weight | 105.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 105.02483 |
| Heavy Atoms | 6 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 22013-97-4 |
|---|---|
| SMILES | CNC(=O)SC |
| InChIKey | YUWWOMKVPZHPQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamothioic acid, methyl-, S-methyl ester (CAS 22013-97-4), with molecular formula C3H7NOS and molecular weight 105.02 g/mol. IUPAC: S-methyl N-methylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, methyl-, S-methyl ester
Property Insights of Carbamothioic acid, methyl-, S-methyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamothioic acid, methyl-, S-methyl ester. With a topological polar surface area (TPSA) of 54.4 Ų, Carbamothioic acid, methyl-, S-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, methyl-, S-methyl 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-methyl ester?
The CAS number of Carbamothioic acid, methyl-, S-methyl ester is 22013-97-4.
What is the molecular formula of Carbamothioic acid, methyl-, S-methyl ester?
The molecular formula of Carbamothioic acid, methyl-, S-methyl ester is C3H7NOS.
What is the molecular weight of Carbamothioic acid, methyl-, S-methyl ester?
The molecular weight of Carbamothioic acid, methyl-, S-methyl ester is 105.02 g/mol.
Where can I buy Carbamothioic acid, methyl-, S-methyl ester?
You can request a quote for Carbamothioic acid, methyl-, S-methyl 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-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, methyl-, S-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.