2(3H)-Benzothiazolone, 5-chloro-
TL;DR: 2(3H)-Benzothiazolone, 5-chloro- (CAS 20600-44-6) is a chemical compound with molecular formula C7H4ClNOS and molecular weight 184.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3H-1,3-benzothiazol-2-one
Also Known As: 5-Chloro-2-benzothiazolinone, 5-chlorobenzo[d]thiazol-2(3H)-one, 2(3H)-Benzothiazolone, 5-chloro-, 5-chloro-3H-1,3-benzothiazol-2-one, Chlorobenzothiazolinone
| Molecular Formula | C7H4ClNOS |
|---|---|
| Molecular Weight | 184.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.97021 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 20600-44-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC(=O)S2 |
| InChIKey | NOVHYVKPKWACML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(3H)-Benzothiazolone, 5-chloro- (CAS 20600-44-6), with molecular formula C7H4ClNOS and molecular weight 184.97 g/mol. IUPAC: 5-chloro-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 2(3H)-Benzothiazolone, 5-chloro-
Property Insights of 2(3H)-Benzothiazolone, 5-chloro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolone, 5-chloro-. With a topological polar surface area (TPSA) of 54.4 Ų, 2(3H)-Benzothiazolone, 5-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolone, 5-chloro- has 1 hydrogen bond donor(s) and 2 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(3H)-Benzothiazolone, 5-chloro-?
The CAS number of 2(3H)-Benzothiazolone, 5-chloro- is 20600-44-6.
What is the molecular formula of 2(3H)-Benzothiazolone, 5-chloro-?
The molecular formula of 2(3H)-Benzothiazolone, 5-chloro- is C7H4ClNOS.
What is the molecular weight of 2(3H)-Benzothiazolone, 5-chloro-?
The molecular weight of 2(3H)-Benzothiazolone, 5-chloro- is 184.97 g/mol.
Where can I buy 2(3H)-Benzothiazolone, 5-chloro-?
You can request a quote for 2(3H)-Benzothiazolone, 5-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolone, 5-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolone, 5-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.