![Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester structure](/static/products/1146/114676-40-3.webp)
Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester
TL;DR: Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester (CAS 114676-40-3) is a chemical compound with molecular formula C10H10N2O2S2 and molecular weight 254.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(benzoylcarbamoyl)carbamodithioate
Also Known As: methyl N-(benzoylcarbamoyl)carbamodithioate, Methyl (benzoylcarbamoyl)carbamodithioate, Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester, Methyl (benzoylamino)carbonyldithiocarbamate, Methyl (benzoylamino)carbonyldithiocarbamate #
| Molecular Formula | C10H10N2O2S2 |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 1.7739 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.01837 |
| Heavy Atoms | 16 |
| Complexity | 406.5399 |
Chemical Identifiers
| CAS Number | 114676-40-3 |
|---|---|
| SMILES | CSC(=S)NC(=O)NC(=O)C1=CC=CC=C1 |
Product Overview
Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester (CAS 114676-40-3), with molecular formula C10H10N2O2S2 and molecular weight 254.02 g/mol. IUPAC: methyl N-(benzoylcarbamoyl)carbamodithioate.
Chemical Property Profile of Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester
Property Insights of Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester
The XLogP value of 1.7739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester. With a topological polar surface area (TPSA) of 58.2 Ų, Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester has 2 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 Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester?
The CAS number of Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester is 114676-40-3.
What is the molecular formula of Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester?
The molecular formula of Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester is C10H10N2O2S2.
What is the molecular weight of Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester?
The molecular weight of Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester is 254.02 g/mol.
Where can I buy Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester?
You can request a quote for Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, [(benzoylamino)carbonyl]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.