![2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile structure](/static/products/379/379255-64-8.png)
2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile
TL;DR: 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile (CAS 379255-64-8) is a chemical compound with molecular formula C16H9F2N3S2 and molecular weight 345.02 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-(2,4-difluorophenyl)ethanethioamide
Also Known As: 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile, (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-N-(2,4-difluorophenyl)ethanethioamide, 2-(1,3-benzothiazol-2-yl)-3-(2,4-difluorophenyl)amino-3-sulfanylprop-2-enenitrile, (2E)-2-(1,3-BENZOTHIAZOL-2-YL)-3-[(2,4-DIFLUOROPHENYL)AMINO]-3-SULFANYLPROP-2-ENENITRILE
| Molecular Formula | C16H9F2N3S2 |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 4.65708 |
| Topological Polar Surface Area | 47.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.0206 |
| Heavy Atoms | 23 |
| Complexity | 844.8693 |
Chemical Identifiers
| CAS Number | 379255-64-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N/C(=C(/C#N)\C(=S)NC3=C(C=C(C=C3)F)F)/S2 |
Product Overview
2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile (CAS 379255-64-8), with molecular formula C16H9F2N3S2 and molecular weight 345.02 g/mol. IUPAC: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-N-(2,4-difluorophenyl)ethanethioamide.
Chemical Property Profile of 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile
Property Insights of 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile
The XLogP value of 4.65708 indicates that 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)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 47.85 Ų, 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)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-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile has 2 hydrogen bond donor(s) and 4 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-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile?
The CAS number of 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile is 379255-64-8.
What is the molecular formula of 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile?
The molecular formula of 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile is C16H9F2N3S2.
What is the molecular weight of 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile?
The molecular weight of 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile is 345.02 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile?
You can request a quote for 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)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-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-yl)-3-[(2,4-difluorophenyl)amino]-3-sulfanylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.