Carbamic acid, benzoylmethyldithio-, methyl ester
TL;DR: Carbamic acid, benzoylmethyldithio-, methyl ester (CAS 20184-96-7) is a chemical compound with molecular formula C10H11NOS2 and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-benzoyl-N-methylcarbamodithioate
Also Known As: Methyl benzoyl(methyl)dithiocarbamate, methyl benzoyl(methyl)carbamodithioate, Methyl benzoyl(methyl)dithiocarbamate #, methyl N-benzoyl-N-methylcarbamodithioate, Carbamic acid, benzoylmethyldithio-, methyl ester
| Molecular Formula | C10H11NOS2 |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.02821 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 20184-96-7 |
|---|---|
| SMILES | CN(C(=O)C1=CC=CC=C1)C(=S)SC |
| InChIKey | SIFIIDNWLFSJIA-UHFFFAOYSA-N |
Product Overview
Carbamic acid, benzoylmethyldithio-, methyl ester (CAS 20184-96-7), with molecular formula C10H11NOS2 and molecular weight 225.03 g/mol. IUPAC: methyl N-benzoyl-N-methylcarbamodithioate.
Chemical Property Profile of Carbamic acid, benzoylmethyldithio-, methyl ester
Property Insights of Carbamic acid, benzoylmethyldithio-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, benzoylmethyldithio-, methyl ester. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, benzoylmethyldithio-, methyl ester. Following Lipinski's Rule of Five, Carbamic acid, benzoylmethyldithio-, methyl ester has 0 hydrogen bond donor(s) and 3 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 Carbamic acid, benzoylmethyldithio-, methyl ester?
The CAS number of Carbamic acid, benzoylmethyldithio-, methyl ester is 20184-96-7.
What is the molecular formula of Carbamic acid, benzoylmethyldithio-, methyl ester?
The molecular formula of Carbamic acid, benzoylmethyldithio-, methyl ester is C10H11NOS2.
What is the molecular weight of Carbamic acid, benzoylmethyldithio-, methyl ester?
The molecular weight of Carbamic acid, benzoylmethyldithio-, methyl ester is 225.03 g/mol.
Where can I buy Carbamic acid, benzoylmethyldithio-, methyl ester?
You can request a quote for Carbamic acid, benzoylmethyldithio-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, benzoylmethyldithio-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, benzoylmethyldithio-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.