S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine
TL;DR: S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine (CAS 86536-74-5) is a chemical compound with molecular formula C6H8ClN3S and molecular weight 189.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloropyrazin-2-yl)imino-dimethyl-λ4-sulfane
Also Known As: (3-chloropyrazin-2-yl)imino-dimethyl-, S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine, 2-chloro-3-[(dimethyl-$l^{4}-sulfanylidene)amino]pyrazine
| Molecular Formula | C6H8ClN3S |
|---|---|
| Molecular Weight | 189.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.01274 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 86536-74-5 |
|---|---|
| SMILES | CS(=NC1=NC=CN=C1Cl)C |
| InChIKey | CGBOBINVUITMEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine (CAS 86536-74-5), with molecular formula C6H8ClN3S and molecular weight 189.01 g/mol. IUPAC: (3-chloropyrazin-2-yl)imino-dimethyl-λ4-sulfane.
Chemical Property Profile of S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine
Property Insights of S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine. With a topological polar surface area (TPSA) of 57.4 Ų, S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine 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 S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine?
The CAS number of S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine is 86536-74-5.
What is the molecular formula of S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine?
The molecular formula of S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine is C6H8ClN3S.
What is the molecular weight of S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine?
The molecular weight of S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine is 189.01 g/mol.
Where can I buy S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine?
You can request a quote for S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine 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-N-(3-chloropyrazin-2-yl)sulfilimine?
Yes, KEHONG BIO provides custom synthesis services for S,S-Dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.