Carbamodithioic acid, acetyl-, methyl ester
TL;DR: Carbamodithioic acid, acetyl-, methyl ester (CAS 16696-88-1) is a chemical compound with molecular formula C4H7NOS2 and molecular weight 149.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-acetylcarbamodithioate
Also Known As: methyl N-acetylcarbamodithioate, Carbamodithioic acid, acetyl-, methyl ester, Methyl acetylcarbamodithioate, Methyl acetyldithiocarbamate #, Carbamic acid, acetyldithio-, methyl ester
| Molecular Formula | C4H7NOS2 |
|---|---|
| Molecular Weight | 149.00 g/mol |
| LogP | 0.7704 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.9969 |
| Heavy Atoms | 8 |
| Complexity | 112.605934 |
Chemical Identifiers
| CAS Number | 16696-88-1 |
|---|---|
| SMILES | CC(=O)NC(=S)SC |
Product Overview
Carbamodithioic acid, acetyl-, methyl ester (CAS 16696-88-1), with molecular formula C4H7NOS2 and molecular weight 149.00 g/mol. IUPAC: methyl N-acetylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, acetyl-, methyl ester
Property Insights of Carbamodithioic acid, acetyl-, methyl ester
The XLogP value of 0.7704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, acetyl-, methyl ester. With a topological polar surface area (TPSA) of 29.1 Ų, Carbamodithioic acid, acetyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, acetyl-, methyl ester has 1 hydrogen bond donor(s) and 3 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 Carbamodithioic acid, acetyl-, methyl ester?
The CAS number of Carbamodithioic acid, acetyl-, methyl ester is 16696-88-1.
What is the molecular formula of Carbamodithioic acid, acetyl-, methyl ester?
The molecular formula of Carbamodithioic acid, acetyl-, methyl ester is C4H7NOS2.
What is the molecular weight of Carbamodithioic acid, acetyl-, methyl ester?
The molecular weight of Carbamodithioic acid, acetyl-, methyl ester is 149.00 g/mol.
Where can I buy Carbamodithioic acid, acetyl-, methyl ester?
You can request a quote for Carbamodithioic acid, acetyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, acetyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, acetyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.