3,5-Dimercaptoisothiazole-4-carbonitrile
TL;DR: 3,5-Dimercaptoisothiazole-4-carbonitrile (CAS 7340-98-9) is a chemical compound with molecular formula C4H2N2S3 and molecular weight 173.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-sulfanyl-3-sulfanylidene-1,2-thiazole-4-carbonitrile
Also Known As: 3,5-dimercaptoisothiazole-4-carbonitrile, 3,5-dithioxo-isothiazolidine-4-carbonitrile, 5-sulfanyl-3-sulfanylidene-1,2-thiazole-4-carbonitrile
| Molecular Formula | C4H2N2S3 |
|---|---|
| Molecular Weight | 173.94 g/mol |
| LogP | 1.96607 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.93802 |
| Heavy Atoms | 9 |
| Complexity | 302.34802 |
Chemical Identifiers
| CAS Number | 7340-98-9 |
|---|---|
| SMILES | C(#N)C1=C(SNC1=S)S |
Product Overview
3,5-Dimercaptoisothiazole-4-carbonitrile (CAS 7340-98-9), with molecular formula C4H2N2S3 and molecular weight 173.94 g/mol. IUPAC: 5-sulfanyl-3-sulfanylidene-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3,5-Dimercaptoisothiazole-4-carbonitrile
Property Insights of 3,5-Dimercaptoisothiazole-4-carbonitrile
The XLogP value of 1.96607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimercaptoisothiazole-4-carbonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 3,5-Dimercaptoisothiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimercaptoisothiazole-4-carbonitrile 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 3,5-Dimercaptoisothiazole-4-carbonitrile?
The CAS number of 3,5-Dimercaptoisothiazole-4-carbonitrile is 7340-98-9.
What is the molecular formula of 3,5-Dimercaptoisothiazole-4-carbonitrile?
The molecular formula of 3,5-Dimercaptoisothiazole-4-carbonitrile is C4H2N2S3.
What is the molecular weight of 3,5-Dimercaptoisothiazole-4-carbonitrile?
The molecular weight of 3,5-Dimercaptoisothiazole-4-carbonitrile is 173.94 g/mol.
Where can I buy 3,5-Dimercaptoisothiazole-4-carbonitrile?
You can request a quote for 3,5-Dimercaptoisothiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimercaptoisothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimercaptoisothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.