2,2,2-Trinitroethyl ethylsulfanylformate
TL;DR: 2,2,2-Trinitroethyl ethylsulfanylformate (CAS 71674-15-2) is a chemical compound with molecular formula C5H7N3O8S and molecular weight 269.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trinitroethyl ethylsulfanylformate
Also Known As: 2,2,2-trinitroethyl ethylsulfanylformate, S-Ethyl O-(2,2,2-trinitroethyl) carbonothioate
| Molecular Formula | C5H7N3O8S |
|---|---|
| Molecular Weight | 269.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.9954 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 71674-15-2 |
|---|---|
| SMILES | CCSC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WVQHBQIWJMIORA-UHFFFAOYSA-N |
Product Overview
2,2,2-Trinitroethyl ethylsulfanylformate (CAS 71674-15-2), with molecular formula C5H7N3O8S and molecular weight 269.00 g/mol. IUPAC: 2,2,2-trinitroethyl ethylsulfanylformate.
Chemical Property Profile of 2,2,2-Trinitroethyl ethylsulfanylformate
Property Insights of 2,2,2-Trinitroethyl ethylsulfanylformate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trinitroethyl ethylsulfanylformate. The TPSA of 189.0 Ų indicates high polarity, suggesting 2,2,2-Trinitroethyl ethylsulfanylformate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2,2-Trinitroethyl ethylsulfanylformate has 0 hydrogen bond donor(s) and 9 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 2,2,2-Trinitroethyl ethylsulfanylformate?
The CAS number of 2,2,2-Trinitroethyl ethylsulfanylformate is 71674-15-2.
What is the molecular formula of 2,2,2-Trinitroethyl ethylsulfanylformate?
The molecular formula of 2,2,2-Trinitroethyl ethylsulfanylformate is C5H7N3O8S.
What is the molecular weight of 2,2,2-Trinitroethyl ethylsulfanylformate?
The molecular weight of 2,2,2-Trinitroethyl ethylsulfanylformate is 269.00 g/mol.
Where can I buy 2,2,2-Trinitroethyl ethylsulfanylformate?
You can request a quote for 2,2,2-Trinitroethyl ethylsulfanylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trinitroethyl ethylsulfanylformate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trinitroethyl ethylsulfanylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.