Benzothiazole-2-carbonyl chloride
TL;DR: Benzothiazole-2-carbonyl chloride (CAS 67748-61-2) is a chemical compound with molecular formula C8H4ClNOS and molecular weight 196.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazole-2-carbonyl chloride
Also Known As: 1,3-benzothiazole-2-carbonyl chloride, Benzothiazole-2-carbonyl chloride, Benzo[d]thiazole-2-carbonyl chloride, 2-Benzothiazolecarbonyl chloride, Benzothiazol-2-carbonylchlorid
| Molecular Formula | C8H4ClNOS |
|---|---|
| Molecular Weight | 196.97 g/mol |
| LogP | 2.6753 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.97021 |
| Heavy Atoms | 12 |
| Complexity | 404.30542 |
Chemical Identifiers
| CAS Number | 67748-61-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C(=O)Cl |
Product Overview
Benzothiazole-2-carbonyl chloride (CAS 67748-61-2), with molecular formula C8H4ClNOS and molecular weight 196.97 g/mol. IUPAC: 1,3-benzothiazole-2-carbonyl chloride.
Chemical Property Profile of Benzothiazole-2-carbonyl chloride
Property Insights of Benzothiazole-2-carbonyl chloride
The XLogP value of 2.6753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazole-2-carbonyl chloride. With a topological polar surface area (TPSA) of 29.96 Ų, Benzothiazole-2-carbonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole-2-carbonyl chloride 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 Benzothiazole-2-carbonyl chloride?
The CAS number of Benzothiazole-2-carbonyl chloride is 67748-61-2.
What is the molecular formula of Benzothiazole-2-carbonyl chloride?
The molecular formula of Benzothiazole-2-carbonyl chloride is C8H4ClNOS.
What is the molecular weight of Benzothiazole-2-carbonyl chloride?
The molecular weight of Benzothiazole-2-carbonyl chloride is 196.97 g/mol.
Where can I buy Benzothiazole-2-carbonyl chloride?
You can request a quote for Benzothiazole-2-carbonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole-2-carbonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole-2-carbonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.