2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile
TL;DR: 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile (CAS 380195-11-9) is a chemical compound with molecular formula C18H15N3S2 and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-N-(2,4-dimethylphenyl)ethanethioamide
Also Known As: 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile, (2E)-2-benzothiazol-2-yl-3-[(2,4-dimethylphenyl)amino]-3-sulfanylprop-2-enenit rile, (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-N-(2,4-dimethylphenyl)ethanethioamide, 2-(1,3-benzothiazol-2-yl)-3-[(2,4-dimethylphenyl)amino]-3-sulfanylprop-2-enenitrile
| Molecular Formula | C18H15N3S2 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 4.99572 |
| Topological Polar Surface Area | 47.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.07074 |
| Heavy Atoms | 23 |
| Complexity | 835.81067 |
Chemical Identifiers
| CAS Number | 380195-11-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=S)/C(=C\2/NC3=CC=CC=C3S2)/C#N)C |
Product Overview
2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile (CAS 380195-11-9), with molecular formula C18H15N3S2 and molecular weight 337.07 g/mol. IUPAC: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-cyano-N-(2,4-dimethylphenyl)ethanethioamide.
Chemical Property Profile of 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile
Property Insights of 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile
The XLogP value of 4.99572 indicates that 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile 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-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile 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-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile?
The CAS number of 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile is 380195-11-9.
What is the molecular formula of 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile?
The molecular formula of 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile is C18H15N3S2.
What is the molecular weight of 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile?
The molecular weight of 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile is 337.07 g/mol.
Where can I buy 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile?
You can request a quote for 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazol-2-yl-3-(2,4-dimethyl-phenylamino)-3-mercapto-acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.