5-Phenyl-1,3-benzothiazole-2-thiol
TL;DR: 5-Phenyl-1,3-benzothiazole-2-thiol (CAS 117138-27-9) is a chemical compound with molecular formula C13H9NS2 and molecular weight 243.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-3H-1,3-benzothiazole-2-thione
Also Known As: 5-phenyl-1,3-benzothiazole-2-thiol, 5-phenylbenzothiazole-2-thiol, 5-Phenyl-2-mercaptobenzothiazole, 5-phenyl-3H-1,3-benzothiazole-2-thione, J2.038.768H
| Molecular Formula | C13H9NS2 |
|---|---|
| Molecular Weight | 243.02 g/mol |
| LogP | 4.62589 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.01764 |
| Heavy Atoms | 16 |
| Complexity | 679.724 |
Chemical Identifiers
| CAS Number | 117138-27-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC3=C(C=C2)SC(=S)N3 |
Product Overview
5-Phenyl-1,3-benzothiazole-2-thiol (CAS 117138-27-9), with molecular formula C13H9NS2 and molecular weight 243.02 g/mol. IUPAC: 5-phenyl-3H-1,3-benzothiazole-2-thione.
Chemical Property Profile of 5-Phenyl-1,3-benzothiazole-2-thiol
Property Insights of 5-Phenyl-1,3-benzothiazole-2-thiol
The XLogP value of 4.62589 indicates that 5-Phenyl-1,3-benzothiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 5-Phenyl-1,3-benzothiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-1,3-benzothiazole-2-thiol 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 5-Phenyl-1,3-benzothiazole-2-thiol?
The CAS number of 5-Phenyl-1,3-benzothiazole-2-thiol is 117138-27-9.
What is the molecular formula of 5-Phenyl-1,3-benzothiazole-2-thiol?
The molecular formula of 5-Phenyl-1,3-benzothiazole-2-thiol is C13H9NS2.
What is the molecular weight of 5-Phenyl-1,3-benzothiazole-2-thiol?
The molecular weight of 5-Phenyl-1,3-benzothiazole-2-thiol is 243.02 g/mol.
Where can I buy 5-Phenyl-1,3-benzothiazole-2-thiol?
You can request a quote for 5-Phenyl-1,3-benzothiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-1,3-benzothiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1,3-benzothiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.