S-methyl 2-chloro-1,1-dimethylethylthiocarbamate
TL;DR: S-methyl 2-chloro-1,1-dimethylethylthiocarbamate (CAS 17643-67-3) is a chemical compound with molecular formula C6H12ClNOS and molecular weight 181.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl N-(1-chloro-2-methylpropan-2-yl)carbamothioate
Also Known As: N-(2-chloro-tert-butyl)methylthiocarboxamide, S-methyl 2-chloro-1,1-dimethylethylthiocarbamate, S-methyl N-(1-chloro-2-methylpropan-2-yl)carbamothioate, N-(1-chloro-2-methyl-propan-2-yl)-1-methylsulfanyl-formamide
| Molecular Formula | C6H12ClNOS |
|---|---|
| Molecular Weight | 181.03 g/mol |
| LogP | 2.0764 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0328 |
| Heavy Atoms | 10 |
| Complexity | 126.91622 |
Chemical Identifiers
| CAS Number | 17643-67-3 |
|---|---|
| SMILES | CC(C)(CCl)NC(=O)SC |
Product Overview
S-methyl 2-chloro-1,1-dimethylethylthiocarbamate (CAS 17643-67-3), with molecular formula C6H12ClNOS and molecular weight 181.03 g/mol. IUPAC: S-methyl N-(1-chloro-2-methylpropan-2-yl)carbamothioate.
Chemical Property Profile of S-methyl 2-chloro-1,1-dimethylethylthiocarbamate
Property Insights of S-methyl 2-chloro-1,1-dimethylethylthiocarbamate
The XLogP value of 2.0764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-methyl 2-chloro-1,1-dimethylethylthiocarbamate. With a topological polar surface area (TPSA) of 29.1 Ų, S-methyl 2-chloro-1,1-dimethylethylthiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-methyl 2-chloro-1,1-dimethylethylthiocarbamate 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 S-methyl 2-chloro-1,1-dimethylethylthiocarbamate?
The CAS number of S-methyl 2-chloro-1,1-dimethylethylthiocarbamate is 17643-67-3.
What is the molecular formula of S-methyl 2-chloro-1,1-dimethylethylthiocarbamate?
The molecular formula of S-methyl 2-chloro-1,1-dimethylethylthiocarbamate is C6H12ClNOS.
What is the molecular weight of S-methyl 2-chloro-1,1-dimethylethylthiocarbamate?
The molecular weight of S-methyl 2-chloro-1,1-dimethylethylthiocarbamate is 181.03 g/mol.
Where can I buy S-methyl 2-chloro-1,1-dimethylethylthiocarbamate?
You can request a quote for S-methyl 2-chloro-1,1-dimethylethylthiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methyl 2-chloro-1,1-dimethylethylthiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for S-methyl 2-chloro-1,1-dimethylethylthiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.