Benzenethiol, thiobis-
TL;DR: Benzenethiol, thiobis- (CAS 117526-77-9) is a chemical compound with molecular formula C12H10S3 and molecular weight 249.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-sulfanylphenyl)sulfanylbenzenethiol
Also Known As: Benzenethiol, thiobis-, Benzenethiol,thiobis, bis(2-mercaptophenyl) sulfide, 2,2 -Thiodibenzenethiol, 2,2 -Thiobisbenzenethiol
| Molecular Formula | C12H10S3 |
|---|---|
| Molecular Weight | 249.99 g/mol |
| LogP | 4.4152 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.99446 |
| Heavy Atoms | 15 |
| Complexity | 422.42935 |
Chemical Identifiers
| CAS Number | 117526-77-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)S)SC2=CC=CC=C2S |
Product Overview
Benzenethiol, thiobis- (CAS 117526-77-9), with molecular formula C12H10S3 and molecular weight 249.99 g/mol. IUPAC: 2-(2-sulfanylphenyl)sulfanylbenzenethiol.
Chemical Property Profile of Benzenethiol, thiobis-
Property Insights of Benzenethiol, thiobis-
The XLogP value of 4.4152 indicates that Benzenethiol, thiobis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzenethiol, thiobis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenethiol, thiobis- has 2 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 Benzenethiol, thiobis-?
The CAS number of Benzenethiol, thiobis- is 117526-77-9.
What is the molecular formula of Benzenethiol, thiobis-?
The molecular formula of Benzenethiol, thiobis- is C12H10S3.
What is the molecular weight of Benzenethiol, thiobis-?
The molecular weight of Benzenethiol, thiobis- is 249.99 g/mol.
Where can I buy Benzenethiol, thiobis-?
You can request a quote for Benzenethiol, thiobis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenethiol, thiobis-?
Yes, KEHONG BIO provides custom synthesis services for Benzenethiol, thiobis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.