2-(Benzylsulfanylcarbothioylamino)acetic acid
TL;DR: 2-(Benzylsulfanylcarbothioylamino)acetic acid (CAS 4596-57-0) is a chemical compound with molecular formula C10H11NO2S2 and molecular weight 241.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfanylcarbothioylamino)acetic acid
Also Known As: N-dithiocarbobenzoxyglycine, 2-(benzylsulfanylcarbothioylamino)acetic acid, N-[(Benzylsulfanyl)carbonothioyl]glycine, [Benzylthio(thiocarbonyl)amino]acetic acid, J1.586.682I
| Molecular Formula | C10H11NO2S2 |
|---|---|
| Molecular Weight | 241.02 g/mol |
| LogP | 1.8789 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.02312 |
| Heavy Atoms | 15 |
| Complexity | 340.53543 |
Chemical Identifiers
| CAS Number | 4596-57-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=S)NCC(=O)O |
Product Overview
2-(Benzylsulfanylcarbothioylamino)acetic acid (CAS 4596-57-0), with molecular formula C10H11NO2S2 and molecular weight 241.02 g/mol. IUPAC: 2-(benzylsulfanylcarbothioylamino)acetic acid.
Chemical Property Profile of 2-(Benzylsulfanylcarbothioylamino)acetic acid
Property Insights of 2-(Benzylsulfanylcarbothioylamino)acetic acid
The XLogP value of 1.8789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzylsulfanylcarbothioylamino)acetic acid. With a topological polar surface area (TPSA) of 49.33 Ų, 2-(Benzylsulfanylcarbothioylamino)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanylcarbothioylamino)acetic acid has 2 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 2-(Benzylsulfanylcarbothioylamino)acetic acid?
The CAS number of 2-(Benzylsulfanylcarbothioylamino)acetic acid is 4596-57-0.
What is the molecular formula of 2-(Benzylsulfanylcarbothioylamino)acetic acid?
The molecular formula of 2-(Benzylsulfanylcarbothioylamino)acetic acid is C10H11NO2S2.
What is the molecular weight of 2-(Benzylsulfanylcarbothioylamino)acetic acid?
The molecular weight of 2-(Benzylsulfanylcarbothioylamino)acetic acid is 241.02 g/mol.
Where can I buy 2-(Benzylsulfanylcarbothioylamino)acetic acid?
You can request a quote for 2-(Benzylsulfanylcarbothioylamino)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanylcarbothioylamino)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanylcarbothioylamino)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.