S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate)
TL;DR: S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate) (CAS 835-17-6) is a chemical compound with molecular formula C6H12N2O2S2 and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl N-[2-(methylsulfanylcarbonylamino)ethyl]carbamothioate
Also Known As: s,s'-dimethyl ethane-1,2-diylbiscarbamothioate, S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate), S-methyl N-[2-(methylsulfanylcarbonylamino)ethyl]carbamothioate
| Molecular Formula | C6H12N2O2S2 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.03403 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 835-17-6 |
|---|---|
| SMILES | CSC(=O)NCCNC(=O)SC |
| InChIKey | LTFCRILAHHIGHP-UHFFFAOYSA-N |
Product Overview
S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate) (CAS 835-17-6), with molecular formula C6H12N2O2S2 and molecular weight 208.03 g/mol. IUPAC: S-methyl N-[2-(methylsulfanylcarbonylamino)ethyl]carbamothioate.
Chemical Property Profile of S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate)
Property Insights of S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate)
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate). The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate). Following Lipinski's Rule of Five, S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate) 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 S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate)?
The CAS number of S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate) is 835-17-6.
What is the molecular formula of S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate)?
The molecular formula of S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate) is C6H12N2O2S2.
What is the molecular weight of S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate)?
The molecular weight of S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate) is 208.03 g/mol.
Where can I buy S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate)?
You can request a quote for S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate)?
Yes, KEHONG BIO provides custom synthesis services for S,S'-Dimethyl ethane-1,2-diylbis(hydrogen carbonimidothioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.