2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile
TL;DR: 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile (CAS 327104-64-3) is a chemical compound with molecular formula C10H6N2OS and molecular weight 202.02 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-oxopropanenitrile
Also Known As: 2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile, 2-(Benzo[d]thiazol-2-yl)-3-oxopropanenitrile, 2-Benzothiazoleacetonitrile,alpha-formyl-(9CI), 2-Benzothiazoleacetonitrile, alpha-formyl- (9CI), 973-410-9
| Molecular Formula | C10H6N2OS |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 2.10238 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.02008 |
| Heavy Atoms | 14 |
| Complexity | 479.06152 |
Chemical Identifiers
| CAS Number | 327104-64-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(C=O)C#N |
Product Overview
2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile (CAS 327104-64-3), with molecular formula C10H6N2OS and molecular weight 202.02 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile
Property Insights of 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile
The XLogP value of 2.10238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile. With a topological polar surface area (TPSA) of 53.75 Ų, 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile has 0 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-oxopropanenitrile?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile is 327104-64-3.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile is C10H6N2OS.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile is 202.02 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile 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-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.