2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile (CAS 392724-16-2) is a chemical compound with molecular formula C12H10N2S and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-3-methylbut-2-enenitrile
Also Known As: BAS 02626949, 2-Benzothiazol-2-yl-3-methyl-but-2-enenitrile, 2-(1,3-benzothiazol-2-yl)-3-methyl-2-butenenitrile, 2-(1,3-benzothiazol-2-yl)-3-methylbut-2-enenitrile, 2-benzothiazol-2-yl-3-methylbut-2-enenitrile
| Molecular Formula | C12H10N2S |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.05647 |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 392724-16-2 |
|---|---|
| SMILES | CC(=C(C#N)C1=NC2=CC=CC=C2S1)C |
| InChIKey | LFRAFAQWIPZCRG-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile (CAS 392724-16-2), with molecular formula C12H10N2S and molecular weight 214.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-methylbut-2-enenitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile
The XLogP value of 3.6 indicates that 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile has 0 hydrogen bond donor(s) and 3 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-methyl-2-butenenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile is 392724-16-2.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile is C12H10N2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile is 214.06 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile 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-methyl-2-butenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.