1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol
TL;DR: 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol (CAS 13353-68-9) is a chemical compound with molecular formula C10H10ClNOS2 and molecular weight 258.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-ylsulfanyl)-3-chloropropan-2-ol
Also Known As: 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol, 1-(1,3-benzothiazol-2-ylsulfanyl)-3-chloropropan-2-ol, 1-benzothiazol-2-ylthio-3-chloropropan-2-ol, 2-(2-hydroxy-3-chloropropylthio)benzothiazole, 2-Propanol, 1-(2-benzothiazolylthio)-3-chloro-
| Molecular Formula | C10H10ClNOS2 |
|---|---|
| Molecular Weight | 258.99 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.98923 |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 13353-68-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(CCl)O |
| InChIKey | XNEVKTZYCWFBFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol (CAS 13353-68-9), with molecular formula C10H10ClNOS2 and molecular weight 258.99 g/mol. IUPAC: 1-(1,3-benzothiazol-2-ylsulfanyl)-3-chloropropan-2-ol.
Chemical Property Profile of 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol
Property Insights of 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol. Following Lipinski's Rule of Five, 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol has 1 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-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol?
The CAS number of 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol is 13353-68-9.
What is the molecular formula of 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol?
The molecular formula of 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol is C10H10ClNOS2.
What is the molecular weight of 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol?
The molecular weight of 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol is 258.99 g/mol.
Where can I buy 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol?
You can request a quote for 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-(benzothiazol-2-ylthio)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.