1,2-Benzisothiazole, 3-chloro-5-nitro-
TL;DR: 1,2-Benzisothiazole, 3-chloro-5-nitro- (CAS 30747-87-6) is a chemical compound with molecular formula C7H3ClN2O2S and molecular weight 213.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-nitro-1,2-benzothiazole
Also Known As: 3-Chloro-5-nitro-1,2-benzisothiazole, 3-chloro-5-nitro-1,2-benzothiazole, 1,2-Benzisothiazole, 3-chloro-5-nitro-, 3-Chloro-5-nitrobenzo[d]isothiazole, 3-chloro-5-nitrobenzisothiazole
| Molecular Formula | C7H3ClN2O2S |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.96037 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 30747-87-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=NS2)Cl |
| InChIKey | JLKBGSBCVBKCBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzisothiazole, 3-chloro-5-nitro- (CAS 30747-87-6), with molecular formula C7H3ClN2O2S and molecular weight 213.96 g/mol. IUPAC: 3-chloro-5-nitro-1,2-benzothiazole.
Chemical Property Profile of 1,2-Benzisothiazole, 3-chloro-5-nitro-
Property Insights of 1,2-Benzisothiazole, 3-chloro-5-nitro-
The XLogP value of 3.1 indicates that 1,2-Benzisothiazole, 3-chloro-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazole, 3-chloro-5-nitro-. Following Lipinski's Rule of Five, 1,2-Benzisothiazole, 3-chloro-5-nitro- 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 1,2-Benzisothiazole, 3-chloro-5-nitro-?
The CAS number of 1,2-Benzisothiazole, 3-chloro-5-nitro- is 30747-87-6.
What is the molecular formula of 1,2-Benzisothiazole, 3-chloro-5-nitro-?
The molecular formula of 1,2-Benzisothiazole, 3-chloro-5-nitro- is C7H3ClN2O2S.
What is the molecular weight of 1,2-Benzisothiazole, 3-chloro-5-nitro-?
The molecular weight of 1,2-Benzisothiazole, 3-chloro-5-nitro- is 213.96 g/mol.
Where can I buy 1,2-Benzisothiazole, 3-chloro-5-nitro-?
You can request a quote for 1,2-Benzisothiazole, 3-chloro-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole, 3-chloro-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole, 3-chloro-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.