Methyl diphenylcarbamodithioate
TL;DR: Methyl diphenylcarbamodithioate (CAS 71195-52-3) is a chemical compound with molecular formula C14H13NS2 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N,N-diphenylcarbamodithioate
Also Known As: Methyl diphenylcarbamodithioate, methyl N,N-diphenylcarbamodithioate, methyldiphenylcarbamodithioate, Diphenyldithiocarbamic acid methyl ester, N,N-diphenyl(methylsulfanyl)carbothioamide
| Molecular Formula | C14H13NS2 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 4.4726 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04895 |
| Heavy Atoms | 17 |
| Complexity | 442.5901 |
Chemical Identifiers
| CAS Number | 71195-52-3 |
|---|---|
| SMILES | CSC(=S)N(C1=CC=CC=C1)C2=CC=CC=C2 |
Product Overview
Methyl diphenylcarbamodithioate (CAS 71195-52-3), with molecular formula C14H13NS2 and molecular weight 259.05 g/mol. IUPAC: methyl N,N-diphenylcarbamodithioate.
Chemical Property Profile of Methyl diphenylcarbamodithioate
Property Insights of Methyl diphenylcarbamodithioate
The XLogP value of 4.4726 indicates that Methyl diphenylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Methyl diphenylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl diphenylcarbamodithioate has 0 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 diphenylcarbamodithioate?
The CAS number of Methyl diphenylcarbamodithioate is 71195-52-3.
What is the molecular formula of Methyl diphenylcarbamodithioate?
The molecular formula of Methyl diphenylcarbamodithioate is C14H13NS2.
What is the molecular weight of Methyl diphenylcarbamodithioate?
The molecular weight of Methyl diphenylcarbamodithioate is 259.05 g/mol.
Where can I buy Methyl diphenylcarbamodithioate?
You can request a quote for Methyl diphenylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl diphenylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for Methyl diphenylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.