Methyl N-(phenylmethyl)carbamodithioate
TL;DR: Methyl N-(phenylmethyl)carbamodithioate (CAS 6392-79-6) 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.
methyl N-benzylcarbamodithioate
Also Known As: Methyl benzylcarbamodithioate, Methyl N-benzyldithiocarbamate, Brassinin derivative, 8, Methyl (phenylmethyl)carbamodithioate, methyl benzyldithiocarbamate
| 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 | 6392-79-6 |
|---|---|
| SMILES | CSC(=S)NCC1=CC=CC=C1 |
Product Overview
Methyl N-(phenylmethyl)carbamodithioate (CAS 6392-79-6), with molecular formula C9H11NS2 and molecular weight 197.03 g/mol. IUPAC: methyl N-benzylcarbamodithioate.
Chemical Property Profile of Methyl N-(phenylmethyl)carbamodithioate
Property Insights of Methyl N-(phenylmethyl)carbamodithioate
The XLogP value of 2.4241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(phenylmethyl)carbamodithioate. With a topological polar surface area (TPSA) of 12.03 Ų, Methyl N-(phenylmethyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl N-(phenylmethyl)carbamodithioate 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 Methyl N-(phenylmethyl)carbamodithioate?
The CAS number of Methyl N-(phenylmethyl)carbamodithioate is 6392-79-6.
What is the molecular formula of Methyl N-(phenylmethyl)carbamodithioate?
The molecular formula of Methyl N-(phenylmethyl)carbamodithioate is C9H11NS2.
What is the molecular weight of Methyl N-(phenylmethyl)carbamodithioate?
The molecular weight of Methyl N-(phenylmethyl)carbamodithioate is 197.03 g/mol.
Where can I buy Methyl N-(phenylmethyl)carbamodithioate?
You can request a quote for Methyl N-(phenylmethyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(phenylmethyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(phenylmethyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.