Benzyl methylcarbamodithioate
TL;DR: Benzyl methylcarbamodithioate (CAS 19594-25-3) is a chemical compound with molecular formula C9H11NS2 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-methylcarbamodithioate
Also Known As: Benzyl methylcarbamodithioate, benzyl N-methylcarbamodithioate, 1-benzylsulfanyl-N-methyl-methanethioamide, Carbamodithioic acid, N-methyl-, phenylmethyl ester
| Molecular Formula | C9H11NS2 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 2.4241 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.0333 |
| Heavy Atoms | 12 |
| Complexity | 245.96527 |
Chemical Identifiers
| CAS Number | 19594-25-3 |
|---|---|
| SMILES | CNC(=S)SCC1=CC=CC=C1 |
Product Overview
Benzyl methylcarbamodithioate (CAS 19594-25-3), with molecular formula C9H11NS2 and molecular weight 197.03 g/mol. IUPAC: benzyl N-methylcarbamodithioate.
Chemical Property Profile of Benzyl methylcarbamodithioate
Property Insights of Benzyl methylcarbamodithioate
The XLogP value of 2.4241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl methylcarbamodithioate. With a topological polar surface area (TPSA) of 12.03 Ų, Benzyl methylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl methylcarbamodithioate?
The CAS number of Benzyl methylcarbamodithioate is 19594-25-3.
What is the molecular formula of Benzyl methylcarbamodithioate?
The molecular formula of Benzyl methylcarbamodithioate is C9H11NS2.
What is the molecular weight of Benzyl methylcarbamodithioate?
The molecular weight of Benzyl methylcarbamodithioate is 197.03 g/mol.
Where can I buy Benzyl methylcarbamodithioate?
You can request a quote for Benzyl methylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl methylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl methylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.