Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)-
TL;DR: Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)- (CAS 135489-14-4) is a chemical compound with molecular formula C9H9N3S3 and molecular weight 255.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-propylsulfanylthieno[3,2-d][1,2]thiazole-5-carbonitrile
Also Known As: Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)-, 4-Amino-3-(propylthio)thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-propylsulfanylthieno[3,2-d][1,2]thiazole-5-carbonitrile, 4-Amino-3-(propylsulfanyl)thieno[3,2-d][1,2]thiazole-5-carbonitrile, BRN 4256904
| Molecular Formula | C9H9N3S3 |
|---|---|
| Molecular Weight | 255.00 g/mol |
| LogP | 3.31378 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.99586 |
| Heavy Atoms | 15 |
| Complexity | 520.40894 |
Chemical Identifiers
| CAS Number | 135489-14-4 |
|---|---|
| SMILES | CCCSC1=NSC2=C1C(=C(S2)C#N)N |
Product Overview
Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)- (CAS 135489-14-4), with molecular formula C9H9N3S3 and molecular weight 255.00 g/mol. IUPAC: 4-amino-3-propylsulfanylthieno[3,2-d][1,2]thiazole-5-carbonitrile.
Chemical Property Profile of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)-
Property Insights of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)-
The XLogP value of 3.31378 indicates that Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-(propylthio)-. Following Lipinski's Rule of Five, Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)- 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-(propylthio)-?
The CAS number of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)- is 135489-14-4.
What is the molecular formula of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)-?
The molecular formula of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)- is C9H9N3S3.
What is the molecular weight of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)-?
The molecular weight of Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)- is 255.00 g/mol.
Where can I buy Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)-?
You can request a quote for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)- 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-(propylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Thieno(3,2-d)isothiazole-5-carbonitrile, 4-amino-3-(propylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.