2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)-
TL;DR: 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)- (CAS 134407-91-3) is a chemical compound with molecular formula C14H9N3S and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(1,3-benzothiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
Also Known As: (E)-2-(1,3-benzothiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile, 2-Benzothiazoleacetonitrile, alpha-(1H-pyrrol-2-ylmethylene)-, (E)-, 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)-, (2E)-2-(1,3-BENZOTHIAZOL-2-YL)-3-(1H-PYRROL-2-YL)PROP-2-ENENITRILE
| Molecular Formula | C14H9N3S |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 3.68858 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.05171 |
| Heavy Atoms | 18 |
| Complexity | 711.791 |
Chemical Identifiers
| CAS Number | 134407-91-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=CN3)/C#N |
Product Overview
2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)- (CAS 134407-91-3), with molecular formula C14H9N3S and molecular weight 251.05 g/mol. IUPAC: (E)-2-(1,3-benzothiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile.
Chemical Property Profile of 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)-
Property Insights of 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)-
The XLogP value of 3.68858 indicates that 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)- has 1 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-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)-?
The CAS number of 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)- is 134407-91-3.
What is the molecular formula of 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)-?
The molecular formula of 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)- is C14H9N3S.
What is the molecular weight of 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)-?
The molecular weight of 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)- is 251.05 g/mol.
Where can I buy 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)-?
You can request a quote for 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazoleacetonitrile, I+/--(1H-pyrrol-2-ylmethylene)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.