1,1-Bis(methylthio)-2-nitroethylene
TL;DR: 1,1-Bis(methylthio)-2-nitroethylene (CAS 13623-94-4) is a chemical compound with molecular formula C4H7NO2S2 and molecular weight 164.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(methylsulfanyl)-2-nitroethene
Also Known As: 1,1-Bis(methylthio)-2-nitroethylene, 1,1-bis(methylsulfanyl)-2-nitroethene, Nitroketene dimethyl mercaptal, 1-Nitro-2,2-bis(methylthio)ethylene, 1,1-Dimethylthio-2-nitroethylene
| Molecular Formula | C4H7NO2S2 |
|---|---|
| Molecular Weight | 164.99 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.99182 |
| Heavy Atoms | 9 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 13623-94-4 |
|---|---|
| SMILES | CSC(=C[N+](=O)[O-])SC |
| InChIKey | NXGHEDHQXXXTTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Bis(methylthio)-2-nitroethylene (CAS 13623-94-4), with molecular formula C4H7NO2S2 and molecular weight 164.99 g/mol. IUPAC: 1,1-bis(methylsulfanyl)-2-nitroethene.
Chemical Property Profile of 1,1-Bis(methylthio)-2-nitroethylene
Property Insights of 1,1-Bis(methylthio)-2-nitroethylene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Bis(methylthio)-2-nitroethylene. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Bis(methylthio)-2-nitroethylene. Following Lipinski's Rule of Five, 1,1-Bis(methylthio)-2-nitroethylene has 0 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 1,1-Bis(methylthio)-2-nitroethylene?
The CAS number of 1,1-Bis(methylthio)-2-nitroethylene is 13623-94-4.
What is the molecular formula of 1,1-Bis(methylthio)-2-nitroethylene?
The molecular formula of 1,1-Bis(methylthio)-2-nitroethylene is C4H7NO2S2.
What is the molecular weight of 1,1-Bis(methylthio)-2-nitroethylene?
The molecular weight of 1,1-Bis(methylthio)-2-nitroethylene is 164.99 g/mol.
Where can I buy 1,1-Bis(methylthio)-2-nitroethylene?
You can request a quote for 1,1-Bis(methylthio)-2-nitroethylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(methylthio)-2-nitroethylene?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(methylthio)-2-nitroethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.