S-(N-methylcarbamoyl)cysteine
TL;DR: S-(N-methylcarbamoyl)cysteine (CAS 76173-93-8) is a chemical compound with molecular formula C5H10N2O3S and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-(methylcarbamoylsulfanyl)propanoic acid
Also Known As: S-(N-Methylcarbamoyl)-L-cysteine, SSMCC, s-(methylcarbamoyl)-l-cysteine, S-(N-Methylcarbamoyl)cysteine, starbld0001730
| Molecular Formula | C5H10N2O3S |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.04121 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 76173-93-8 |
|---|---|
| SMILES | CNC(=O)SC[C@@H](C(=O)O)N |
| InChIKey | OCFIRCHPJWLACG-VKHMYHEASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(N-methylcarbamoyl)cysteine (CAS 76173-93-8), with molecular formula C5H10N2O3S and molecular weight 178.04 g/mol. IUPAC: (2R)-2-amino-3-(methylcarbamoylsulfanyl)propanoic acid.
Chemical Property Profile of S-(N-methylcarbamoyl)cysteine
Property Insights of S-(N-methylcarbamoyl)cysteine
The XLogP value of -3.1 indicates that S-(N-methylcarbamoyl)cysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(N-methylcarbamoyl)cysteine. Following Lipinski's Rule of Five, S-(N-methylcarbamoyl)cysteine has 3 hydrogen bond donor(s) and 5 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 S-(N-methylcarbamoyl)cysteine?
The CAS number of S-(N-methylcarbamoyl)cysteine is 76173-93-8.
What is the molecular formula of S-(N-methylcarbamoyl)cysteine?
The molecular formula of S-(N-methylcarbamoyl)cysteine is C5H10N2O3S.
What is the molecular weight of S-(N-methylcarbamoyl)cysteine?
The molecular weight of S-(N-methylcarbamoyl)cysteine is 178.04 g/mol.
Where can I buy S-(N-methylcarbamoyl)cysteine?
You can request a quote for S-(N-methylcarbamoyl)cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(N-methylcarbamoyl)cysteine?
Yes, KEHONG BIO provides custom synthesis services for S-(N-methylcarbamoyl)cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.