2-(1,3-苯并噻唑-2-基)乙腈
TL;DR: 2-(1,3-苯并噻唑-2-基)乙腈 (CAS 56278-50-3) is a chemical compound with molecular formula C9H6N2S and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-苯并噻唑-2-基)乙腈
2-(1,3-benzothiazol-2-yl)acetonitrile
Also Known As: Benzothiazole-2-acetonitrile, 2-Benzothiazoleacetonitrile, 2-(benzo[d]thiazol-2-yl)acetonitrile, 2-(1,3-benzothiazol-2-yl)acetonitrile, Benzothiazole-2-yl-acetonitrile
| Molecular Formula | C9H6N2S |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.02516 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 56278-50-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CC#N |
| InChIKey | ZMZSYUSDGRJZNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-苯并噻唑-2-基)乙腈 (CAS 56278-50-3), with molecular formula C9H6N2S and molecular weight 174.03 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)acetonitrile.
Chemical Property Profile of 2-(1,3-苯并噻唑-2-基)乙腈
Property Insights of 2-(1,3-苯并噻唑-2-基)乙腈
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-苯并噻唑-2-基)乙腈. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-苯并噻唑-2-基)乙腈. Following Lipinski's Rule of Five, 2-(1,3-苯并噻唑-2-基)乙腈 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-苯并噻唑-2-基)乙腈?
The CAS number of 2-(1,3-苯并噻唑-2-基)乙腈 is 56278-50-3.
What is the molecular formula of 2-(1,3-苯并噻唑-2-基)乙腈?
The molecular formula of 2-(1,3-苯并噻唑-2-基)乙腈 is C9H6N2S.
What is the molecular weight of 2-(1,3-苯并噻唑-2-基)乙腈?
The molecular weight of 2-(1,3-苯并噻唑-2-基)乙腈 is 174.03 g/mol.
Where can I buy 2-(1,3-苯并噻唑-2-基)乙腈?
You can request a quote for 2-(1,3-苯并噻唑-2-基)乙腈 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-苯并噻唑-2-基)乙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-苯并噻唑-2-基)乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.