3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile
TL;DR: 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile (CAS 24134-81-4) is a chemical compound with molecular formula C10H10N2O2S3 and molecular weight 285.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(2-oxopropylsulfanyl)-1,2-thiazole-4-carbonitrile
Also Known As: Maybridge1_002446, BUTTPARK 59\40-23, DivK1c_001198, CDS1_000158, SALOR-INT L224189-1EA
| Molecular Formula | C10H10N2O2S3 |
|---|---|
| Molecular Weight | 285.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.99045 |
| Heavy Atoms | 17 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 24134-81-4 |
|---|---|
| SMILES | CC(=O)CSC1=C(C(=NS1)SCC(=O)C)C#N |
| InChIKey | WHNUYUHLQKDZGQ-UHFFFAOYSA-N |
Product Overview
3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile (CAS 24134-81-4), with molecular formula C10H10N2O2S3 and molecular weight 285.99 g/mol. IUPAC: 3,5-bis(2-oxopropylsulfanyl)-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile
Property Insights of 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile. The TPSA of 150.0 Ų indicates high polarity, suggesting 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile has 0 hydrogen bond donor(s) and 7 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-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile?
The CAS number of 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile is 24134-81-4.
What is the molecular formula of 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile?
The molecular formula of 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile is C10H10N2O2S3.
What is the molecular weight of 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile?
The molecular weight of 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile is 285.99 g/mol.
Where can I buy 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile?
You can request a quote for 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.