2-Benzothiazolamine, 4-chloro-
TL;DR: 2-Benzothiazolamine, 4-chloro- (CAS 19952-47-7) is a chemical compound with molecular formula C7H5ClN2S and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1,3-benzothiazol-2-amine
Also Known As: 2-AMINO-4-CHLOROBENZOTHIAZOLE, 4-Chloro-1,3-benzothiazol-2-amine, 2-Benzothiazolamine, 4-chloro-, 4-chlorobenzo[d]thiazol-2-amine, 4-Chlorobenzothiazol-2-ylamine
| Molecular Formula | C7H5ClN2S |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.98619 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
| Melting Point | 397 to 205.0 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 19952-47-7 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)N=C(S2)N |
| InChIKey | OEQQFQXMCPMEIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzothiazolamine, 4-chloro- (CAS 19952-47-7), with molecular formula C7H5ClN2S and molecular weight 183.99 g/mol. IUPAC: 4-chloro-1,3-benzothiazol-2-amine.
Chemical Property Profile of 2-Benzothiazolamine, 4-chloro-
Property Insights of 2-Benzothiazolamine, 4-chloro-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzothiazolamine, 4-chloro-. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzothiazolamine, 4-chloro-. Following Lipinski's Rule of Five, 2-Benzothiazolamine, 4-chloro- 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-Benzothiazolamine, 4-chloro-?
The CAS number of 2-Benzothiazolamine, 4-chloro- is 19952-47-7.
What is the molecular formula of 2-Benzothiazolamine, 4-chloro-?
The molecular formula of 2-Benzothiazolamine, 4-chloro- is C7H5ClN2S.
What is the molecular weight of 2-Benzothiazolamine, 4-chloro-?
The molecular weight of 2-Benzothiazolamine, 4-chloro- is 183.99 g/mol.
Where can I buy 2-Benzothiazolamine, 4-chloro-?
You can request a quote for 2-Benzothiazolamine, 4-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolamine, 4-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolamine, 4-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.