Carbamic acid, phenethyldithio-, methyl ester
TL;DR: Carbamic acid, phenethyldithio-, methyl ester (CAS 16022-44-9) is a chemical compound with molecular formula C10H13NS2 and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(2-phenylethyl)carbamodithioate
Also Known As: Nasturlexin A, phenethylbrassinin, Brassinin derivative, 9, methyl N-phenethylcarbamodithioate, methylphenylethyldithiocarbamate
| Molecular Formula | C10H13NS2 |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 2.4666 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04893 |
| Heavy Atoms | 13 |
| Complexity | 258.8871 |
Chemical Identifiers
| CAS Number | 16022-44-9 |
|---|---|
| SMILES | CSC(=S)NCCC1=CC=CC=C1 |
Product Overview
Carbamic acid, phenethyldithio-, methyl ester (CAS 16022-44-9), with molecular formula C10H13NS2 and molecular weight 211.05 g/mol. IUPAC: methyl N-(2-phenylethyl)carbamodithioate.
Chemical Property Profile of Carbamic acid, phenethyldithio-, methyl ester
Property Insights of Carbamic acid, phenethyldithio-, methyl ester
The XLogP value of 2.4666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, phenethyldithio-, methyl ester. With a topological polar surface area (TPSA) of 12.03 Ų, Carbamic acid, phenethyldithio-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, phenethyldithio-, 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 Carbamic acid, phenethyldithio-, methyl ester?
The CAS number of Carbamic acid, phenethyldithio-, methyl ester is 16022-44-9.
What is the molecular formula of Carbamic acid, phenethyldithio-, methyl ester?
The molecular formula of Carbamic acid, phenethyldithio-, methyl ester is C10H13NS2.
What is the molecular weight of Carbamic acid, phenethyldithio-, methyl ester?
The molecular weight of Carbamic acid, phenethyldithio-, methyl ester is 211.05 g/mol.
Where can I buy Carbamic acid, phenethyldithio-, methyl ester?
You can request a quote for Carbamic acid, phenethyldithio-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, phenethyldithio-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, phenethyldithio-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.