4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)-
TL;DR: 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)- (CAS 72436-96-5) is a chemical compound with molecular formula C13H9N3S3 and molecular weight 303.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-3-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile
Also Known As: 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)-, 3-((Cyanomethyl)thio)-5-((phenylmethyl)thio)-4-isothiazolecarbonitrile, 5-(Benzylsulfanyl)-3-[(cyanomethyl)sulfanyl]-1,2-thiazole-4-carbonitrile, 5-benzylsulfanyl-3-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile, BRN 4264714
| Molecular Formula | C13H9N3S3 |
|---|---|
| Molecular Weight | 303.00 g/mol |
| LogP | 3.92276 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.99585 |
| Heavy Atoms | 19 |
| Complexity | 622.81836 |
Chemical Identifiers
| CAS Number | 72436-96-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=NS2)SCC#N)C#N |
Product Overview
4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)- (CAS 72436-96-5), with molecular formula C13H9N3S3 and molecular weight 303.00 g/mol. IUPAC: 5-benzylsulfanyl-3-(cyanomethylsulfanyl)-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)-
Property Insights of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)-
The XLogP value of 3.92276 indicates that 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)-. Following Lipinski's Rule of Five, 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)- has 0 hydrogen bond donor(s) and 6 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 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)-?
The CAS number of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)- is 72436-96-5.
What is the molecular formula of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)-?
The molecular formula of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)- is C13H9N3S3.
What is the molecular weight of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)-?
The molecular weight of 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)- is 303.00 g/mol.
Where can I buy 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)-?
You can request a quote for 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-((phenylmethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.