![2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile structure](/static/products/379/379255-68-2.png)
2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile (CAS 379255-68-2) is a chemical compound with molecular formula C17H13N3OS2 and molecular weight 339.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-N-(3-methoxyphenyl)ethanethioamide
Also Known As: 2-(1,3-benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile, (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-N-(3-methoxyphenyl)ethanethioamide, 2-(1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)amino-3-sulfanylprop-2-enenitrile, 2-(Benzo[d]thiazol-2-yl)-3-mercapto-3-((3-methoxyphenyl)amino)acrylonitrile
| Molecular Formula | C17H13N3OS2 |
|---|---|
| Molecular Weight | 339.05 g/mol |
| LogP | 4.38748 |
| Topological Polar Surface Area | 57.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.05002 |
| Heavy Atoms | 23 |
| Complexity | 812.7273 |
Chemical Identifiers
| CAS Number | 379255-68-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=S)/C(=C/2\NC3=CC=CC=C3S2)/C#N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile (CAS 379255-68-2), with molecular formula C17H13N3OS2 and molecular weight 339.05 g/mol. IUPAC: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-N-(3-methoxyphenyl)ethanethioamide.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile
The XLogP value of 4.38748 indicates that 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.08 Ų, 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile has 2 hydrogen bond donor(s) and 5 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 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile is 379255-68-2.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile is C17H13N3OS2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile is 339.05 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-[(3-methoxyphenyl)amino]-3-sulfanylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.