methyl N-(benzenesulfonyl)carbamodithioate
TL;DR: methyl N-(benzenesulfonyl)carbamodithioate (CAS 20902-00-5) is a chemical compound with molecular formula C8H9NO2S3 and molecular weight 246.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(benzenesulfonyl)carbamodithioate
Also Known As: methyl phenylsulfonylcarbamodithioate, methyl N-(benzenesulfonyl)carbamodithioate, N-(benzenesulfonyl)(methylsulfanyl)carbothioamide, N-(Phenylsulfonyl)dithiocarbamic acid methyl ester, N-(benzenesulfonyl)-1-methylsulfanyl-methanethioamide
| Molecular Formula | C8H9NO2S3 |
|---|---|
| Molecular Weight | 246.98 g/mol |
| LogP | 1.6128 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.97954 |
| Heavy Atoms | 14 |
| Complexity | 413.47235 |
Chemical Identifiers
| CAS Number | 20902-00-5 |
|---|---|
| SMILES | CSC(=S)NS(=O)(=O)C1=CC=CC=C1 |
Product Overview
methyl N-(benzenesulfonyl)carbamodithioate (CAS 20902-00-5), with molecular formula C8H9NO2S3 and molecular weight 246.98 g/mol. IUPAC: methyl N-(benzenesulfonyl)carbamodithioate.
Chemical Property Profile of methyl N-(benzenesulfonyl)carbamodithioate
Property Insights of methyl N-(benzenesulfonyl)carbamodithioate
The XLogP value of 1.6128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-(benzenesulfonyl)carbamodithioate. With a topological polar surface area (TPSA) of 46.17 Ų, methyl N-(benzenesulfonyl)carbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl N-(benzenesulfonyl)carbamodithioate has 1 hydrogen bond donor(s) and 4 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-(benzenesulfonyl)carbamodithioate?
The CAS number of methyl N-(benzenesulfonyl)carbamodithioate is 20902-00-5.
What is the molecular formula of methyl N-(benzenesulfonyl)carbamodithioate?
The molecular formula of methyl N-(benzenesulfonyl)carbamodithioate is C8H9NO2S3.
What is the molecular weight of methyl N-(benzenesulfonyl)carbamodithioate?
The molecular weight of methyl N-(benzenesulfonyl)carbamodithioate is 246.98 g/mol.
Where can I buy methyl N-(benzenesulfonyl)carbamodithioate?
You can request a quote for methyl N-(benzenesulfonyl)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-(benzenesulfonyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(benzenesulfonyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.