Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-
TL;DR: Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)- (CAS 72436-92-1) is a chemical compound with molecular formula C7H5N3S3 and molecular weight 226.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-methylsulfanylthieno[3,2-d][1,2]thiazole-5-carbonitrile
Also Known As: Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-, 4-Amino-3-(methylthio)thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylsulfanyl)thieno[3,2-d][1,2]thiazole-5-carbonitrile, 4-amino-3-methylsulfanylthieno[3,2-d][1,2]thiazole-5-carbonitrile, 4-amino-3-methylthiothiopheno[3,2-d]isothiazole-5-carbonitrile
| Molecular Formula | C7H5N3S3 |
|---|---|
| Molecular Weight | 226.96 g/mol |
| LogP | 2.53358 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.96455 |
| Heavy Atoms | 13 |
| Complexity | 490.75458 |
Chemical Identifiers
| CAS Number | 72436-92-1 |
|---|---|
| SMILES | CSC1=NSC2=C1C(=C(S2)C#N)N |
Product Overview
Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)- (CAS 72436-92-1), with molecular formula C7H5N3S3 and molecular weight 226.96 g/mol. IUPAC: 4-amino-3-methylsulfanylthieno[3,2-d][1,2]thiazole-5-carbonitrile.
Chemical Property Profile of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-
Property Insights of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-
The XLogP value of 2.53358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-. Following Lipinski's Rule of Five, Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)- 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 Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-?
The CAS number of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)- is 72436-92-1.
What is the molecular formula of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-?
The molecular formula of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)- is C7H5N3S3.
What is the molecular weight of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-?
The molecular weight of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)- is 226.96 g/mol.
Where can I buy Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-?
You can request a quote for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.