4-Phenyl-1,3-benzothiazole-2(3H)-thione
TL;DR: 4-Phenyl-1,3-benzothiazole-2(3H)-thione (CAS 5343-83-9) 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.
4-phenyl-3H-1,3-benzothiazole-2-thione
Also Known As: 4-Phenyl-1,3-benzothiazole-2(3H)-thione, 4-Phenyl-2-mercaptobenzothiazole, 4-PHENYLBENZOTHIAZOLETHIOL, 4-phenyl-1,3-benzothiazole-2-thiol, 4-phenyl-3H-1,3-benzothiazole-2-thione
| 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 | 5343-83-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C3C(=CC=C2)SC(=S)N3 |
Product Overview
4-Phenyl-1,3-benzothiazole-2(3H)-thione (CAS 5343-83-9), with molecular formula C13H9NS2 and molecular weight 243.02 g/mol. IUPAC: 4-phenyl-3H-1,3-benzothiazole-2-thione.
Chemical Property Profile of 4-Phenyl-1,3-benzothiazole-2(3H)-thione
Property Insights of 4-Phenyl-1,3-benzothiazole-2(3H)-thione
The XLogP value of 4.62589 indicates that 4-Phenyl-1,3-benzothiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 4-Phenyl-1,3-benzothiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-1,3-benzothiazole-2(3H)-thione 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 4-Phenyl-1,3-benzothiazole-2(3H)-thione?
The CAS number of 4-Phenyl-1,3-benzothiazole-2(3H)-thione is 5343-83-9.
What is the molecular formula of 4-Phenyl-1,3-benzothiazole-2(3H)-thione?
The molecular formula of 4-Phenyl-1,3-benzothiazole-2(3H)-thione is C13H9NS2.
What is the molecular weight of 4-Phenyl-1,3-benzothiazole-2(3H)-thione?
The molecular weight of 4-Phenyl-1,3-benzothiazole-2(3H)-thione is 243.02 g/mol.
Where can I buy 4-Phenyl-1,3-benzothiazole-2(3H)-thione?
You can request a quote for 4-Phenyl-1,3-benzothiazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-1,3-benzothiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1,3-benzothiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.