2,1-Benzisothiazol-3-amine, 5,7-dichloro-
TL;DR: 2,1-Benzisothiazol-3-amine, 5,7-dichloro- (CAS 60877-79-4) is a chemical compound with molecular formula C7H4Cl2N2S and molecular weight 217.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dichloro-2,1-benzothiazol-3-amine
Also Known As: 5,7-dichloro-2,1-benzothiazol-3-amine, 5,7-Dichloro-2,1-benzisothiazol-3-amine, 2,1-Benzisothiazol-3-amine, 5,7-dichloro-, 3-Amino-5,7-dichloro-2,1-benisothiazole, 3-AMINO-5,7-DICHLORO-2,1-BENZISOTHIAZOLE
| Molecular Formula | C7H4Cl2N2S |
|---|---|
| Molecular Weight | 217.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.94722 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 60877-79-4 |
|---|---|
| SMILES | C1=C(C=C(C2=NSC(=C21)N)Cl)Cl |
| InChIKey | SPYCJKMYYZZDMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,1-Benzisothiazol-3-amine, 5,7-dichloro- (CAS 60877-79-4), with molecular formula C7H4Cl2N2S and molecular weight 217.95 g/mol. IUPAC: 5,7-dichloro-2,1-benzothiazol-3-amine.
Chemical Property Profile of 2,1-Benzisothiazol-3-amine, 5,7-dichloro-
Property Insights of 2,1-Benzisothiazol-3-amine, 5,7-dichloro-
The XLogP value of 3.2 indicates that 2,1-Benzisothiazol-3-amine, 5,7-dichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1-Benzisothiazol-3-amine, 5,7-dichloro-. Following Lipinski's Rule of Five, 2,1-Benzisothiazol-3-amine, 5,7-dichloro- 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 2,1-Benzisothiazol-3-amine, 5,7-dichloro-?
The CAS number of 2,1-Benzisothiazol-3-amine, 5,7-dichloro- is 60877-79-4.
What is the molecular formula of 2,1-Benzisothiazol-3-amine, 5,7-dichloro-?
The molecular formula of 2,1-Benzisothiazol-3-amine, 5,7-dichloro- is C7H4Cl2N2S.
What is the molecular weight of 2,1-Benzisothiazol-3-amine, 5,7-dichloro-?
The molecular weight of 2,1-Benzisothiazol-3-amine, 5,7-dichloro- is 217.95 g/mol.
Where can I buy 2,1-Benzisothiazol-3-amine, 5,7-dichloro-?
You can request a quote for 2,1-Benzisothiazol-3-amine, 5,7-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1-Benzisothiazol-3-amine, 5,7-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for 2,1-Benzisothiazol-3-amine, 5,7-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.