(4-chlorophenyl)methyl N-methylcarbamodithioate
TL;DR: (4-chlorophenyl)methyl N-methylcarbamodithioate (CAS 13037-13-3) is a chemical compound with molecular formula C9H10ClNS2 and molecular weight 230.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl N-methylcarbamodithioate
Also Known As: (4-chlorophenyl)methyl N-methylcarbamodithioate, (4-Chlorophenyl)methyl methylcarbamodithioate
| Molecular Formula | C9H10ClNS2 |
|---|---|
| Molecular Weight | 230.99 g/mol |
| LogP | 3.0775 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.99432 |
| Heavy Atoms | 13 |
| Complexity | 284.1711 |
Chemical Identifiers
| CAS Number | 13037-13-3 |
|---|---|
| SMILES | CNC(=S)SCC1=CC=C(C=C1)Cl |
Product Overview
(4-chlorophenyl)methyl N-methylcarbamodithioate (CAS 13037-13-3), with molecular formula C9H10ClNS2 and molecular weight 230.99 g/mol. IUPAC: (4-chlorophenyl)methyl N-methylcarbamodithioate.
Chemical Property Profile of (4-chlorophenyl)methyl N-methylcarbamodithioate
Property Insights of (4-chlorophenyl)methyl N-methylcarbamodithioate
The XLogP value of 3.0775 indicates that (4-chlorophenyl)methyl N-methylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, (4-chlorophenyl)methyl N-methylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-chlorophenyl)methyl N-methylcarbamodithioate 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 (4-chlorophenyl)methyl N-methylcarbamodithioate?
The CAS number of (4-chlorophenyl)methyl N-methylcarbamodithioate is 13037-13-3.
What is the molecular formula of (4-chlorophenyl)methyl N-methylcarbamodithioate?
The molecular formula of (4-chlorophenyl)methyl N-methylcarbamodithioate is C9H10ClNS2.
What is the molecular weight of (4-chlorophenyl)methyl N-methylcarbamodithioate?
The molecular weight of (4-chlorophenyl)methyl N-methylcarbamodithioate is 230.99 g/mol.
Where can I buy (4-chlorophenyl)methyl N-methylcarbamodithioate?
You can request a quote for (4-chlorophenyl)methyl N-methylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-chlorophenyl)methyl N-methylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (4-chlorophenyl)methyl N-methylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.