Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-
TL;DR: Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)- (CAS 135489-22-4) is a chemical compound with molecular formula C13H11N3OS3 and molecular weight 321.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-benzylsulfanyl-4-cyano-1,2-thiazol-5-yl)sulfanyl]acetamide
Also Known As: Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-, 2-((4-Cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)acetamide, 2-[(3-benzylsulfanyl-4-cyano-1,2-thiazol-5-yl)sulfanyl]acetamide, ACETAMIDE,2-[[4-CYANO-3-[(PHENYLMETHYL)THIO]-5-ISOTHIAZOLYL]THIO]-, Acetamide,2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)
| Molecular Formula | C13H11N3OS3 |
|---|---|
| Molecular Weight | 321.01 g/mol |
| LogP | 2.88448 |
| Topological Polar Surface Area | 79.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.00644 |
| Heavy Atoms | 20 |
| Complexity | 634.0561 |
Chemical Identifiers
| CAS Number | 135489-22-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NSC(=C2C#N)SCC(=O)N |
Product Overview
Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)- (CAS 135489-22-4), with molecular formula C13H11N3OS3 and molecular weight 321.01 g/mol. IUPAC: 2-[(3-benzylsulfanyl-4-cyano-1,2-thiazol-5-yl)sulfanyl]acetamide.
Chemical Property Profile of Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-
Property Insights of Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-
The XLogP value of 2.88448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-. The TPSA of 79.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-. Following Lipinski's Rule of Five, Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)- has 1 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 Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-?
The CAS number of Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)- is 135489-22-4.
What is the molecular formula of Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-?
The molecular formula of Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)- is C13H11N3OS3.
What is the molecular weight of Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-?
The molecular weight of Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)- is 321.01 g/mol.
Where can I buy Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-?
You can request a quote for Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, 2-((4-cyano-3-((phenylmethyl)thio)-5-isothiazolyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.