S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate
TL;DR: S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate (CAS 6953-77-1) is a chemical compound with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-S,2-S-bis(2-acetamidoethyl) benzene-1,2-dicarbothioate
Also Known As: S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate, s1,s2-bis[2-(acetylamino)ethyl] benzene-1,2-dicarbothioate, 1-S,2-S-bis(2-acetamidoethyl) benzene-1,2-dicarbothioate
| Molecular Formula | C16H20N2O4S2 |
|---|---|
| Molecular Weight | 368.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.08646 |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 6953-77-1 |
|---|---|
| SMILES | CC(=O)NCCSC(=O)C1=CC=CC=C1C(=O)SCCNC(=O)C |
| InChIKey | SWWOMKLMPPFEND-UHFFFAOYSA-N |
Product Overview
S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate (CAS 6953-77-1), with molecular formula C16H20N2O4S2 and molecular weight 368.09 g/mol. IUPAC: 1-S,2-S-bis(2-acetamidoethyl) benzene-1,2-dicarbothioate.
Chemical Property Profile of S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate
Property Insights of S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate. The TPSA of 143.0 Ų indicates high polarity, suggesting S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate has 2 hydrogen bond donor(s) and 6 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~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate?
The CAS number of S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate is 6953-77-1.
What is the molecular formula of S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate?
The molecular formula of S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate is C16H20N2O4S2.
What is the molecular weight of S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate?
The molecular weight of S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate is 368.09 g/mol.
Where can I buy S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate?
You can request a quote for S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S~1~,S~2~-Bis(2-acetamidoethyl) benzene-1,2-dicarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.