2-(Ethylsulfonyl)ethyl carbamimidothioate
TL;DR: 2-(Ethylsulfonyl)ethyl carbamimidothioate (CAS 499975-02-9) is a chemical compound with molecular formula C5H12N2O2S2 and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfonylethyl carbamimidothioate
Also Known As: 2-(ethylsulfonyl)ethyl carbamimidothioate, 2-ethylsulfonylethyl carbamimidothioate, 2-(2-Ethanesulfonyl-ethyl)-isothiourea, [2-(ethylsulfonyl)ethyl]thiocarboxamidine, BAS 00403959
| Molecular Formula | C5H12N2O2S2 |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 0.04777 |
| Topological Polar Surface Area | 84.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.03403 |
| Heavy Atoms | 11 |
| Complexity | 222.63692 |
Chemical Identifiers
| CAS Number | 499975-02-9 |
|---|---|
| SMILES | CCS(=O)(=O)CCSC(=N)N |
Product Overview
2-(Ethylsulfonyl)ethyl carbamimidothioate (CAS 499975-02-9), with molecular formula C5H12N2O2S2 and molecular weight 196.03 g/mol. IUPAC: 2-ethylsulfonylethyl carbamimidothioate.
Chemical Property Profile of 2-(Ethylsulfonyl)ethyl carbamimidothioate
Property Insights of 2-(Ethylsulfonyl)ethyl carbamimidothioate
The XLogP value of 0.04777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylsulfonyl)ethyl carbamimidothioate. The TPSA of 84.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethylsulfonyl)ethyl carbamimidothioate. Following Lipinski's Rule of Five, 2-(Ethylsulfonyl)ethyl carbamimidothioate 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 2-(Ethylsulfonyl)ethyl carbamimidothioate?
The CAS number of 2-(Ethylsulfonyl)ethyl carbamimidothioate is 499975-02-9.
What is the molecular formula of 2-(Ethylsulfonyl)ethyl carbamimidothioate?
The molecular formula of 2-(Ethylsulfonyl)ethyl carbamimidothioate is C5H12N2O2S2.
What is the molecular weight of 2-(Ethylsulfonyl)ethyl carbamimidothioate?
The molecular weight of 2-(Ethylsulfonyl)ethyl carbamimidothioate is 196.03 g/mol.
Where can I buy 2-(Ethylsulfonyl)ethyl carbamimidothioate?
You can request a quote for 2-(Ethylsulfonyl)ethyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylsulfonyl)ethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylsulfonyl)ethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.