![s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate structure](/static/products/1810/18100-23-7.webp)
s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate
TL;DR: s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate (CAS 18100-23-7) is a chemical compound with molecular formula C12H14N4O4S2 and molecular weight 342.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[4-[(2-carbamoylsulfanylacetyl)amino]anilino]-2-oxoethyl] carbamothioate
Also Known As: s,s'-{benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate, S-[2-[4-[(2-carbamoylsulfanylacetyl)amino]anilino]-2-oxoethy, S,S'-{1,4-Phenylenebis[azanediyl(2-oxoethane-2,1-diyl)]} dicarbamothioate, S-[2-[4-[(2-carbamoylsulfanylacetyl)amino]anilino]-2-oxoethyl] carbamothioate
| Molecular Formula | C12H14N4O4S2 |
|---|---|
| Molecular Weight | 342.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 342.04565 |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 18100-23-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CSC(=O)N)NC(=O)CSC(=O)N |
| InChIKey | VVVZMPYGHGPHND-UHFFFAOYSA-N |
Product Overview
s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate (CAS 18100-23-7), with molecular formula C12H14N4O4S2 and molecular weight 342.05 g/mol. IUPAC: S-[2-[4-[(2-carbamoylsulfanylacetyl)amino]anilino]-2-oxoethyl] carbamothioate.
Chemical Property Profile of s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate
Property Insights of s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate. The TPSA of 195.0 Ų indicates high polarity, suggesting s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate has 4 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,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate?
The CAS number of s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate is 18100-23-7.
What is the molecular formula of s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate?
The molecular formula of s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate is C12H14N4O4S2.
What is the molecular weight of s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate?
The molecular weight of s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate is 342.05 g/mol.
Where can I buy s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate?
You can request a quote for s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for s,s'-{Benzene-1,4-diylbis[imino(2-oxoethane-2,1-diyl)]} dicarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.