Benzotrithiole 2-oxide
TL;DR: Benzotrithiole 2-oxide (CAS 36264-19-4) is a chemical compound with molecular formula C6H4OS3 and molecular weight 187.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2λ4,3-benzotrithiole 2-oxide
Also Known As: Benzotrithiole 2-oxide, 1,2,3-Benzotrithiole 2-oxide, 1,2,3-Benzotrithiole-2-oxide, 1,2,3-benzotri-thiole 2-oxide, 1,2
| Molecular Formula | C6H4OS3 |
|---|---|
| Molecular Weight | 187.94 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.94243 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 36264-19-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)SS(=O)S2 |
| InChIKey | DWVGCJHATVEFEZ-UHFFFAOYSA-N |
Product Overview
Benzotrithiole 2-oxide (CAS 36264-19-4), with molecular formula C6H4OS3 and molecular weight 187.94 g/mol. IUPAC: 1,2λ4,3-benzotrithiole 2-oxide.
Chemical Property Profile of Benzotrithiole 2-oxide
Property Insights of Benzotrithiole 2-oxide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotrithiole 2-oxide. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzotrithiole 2-oxide. Following Lipinski's Rule of Five, Benzotrithiole 2-oxide has 0 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 Benzotrithiole 2-oxide?
The CAS number of Benzotrithiole 2-oxide is 36264-19-4.
What is the molecular formula of Benzotrithiole 2-oxide?
The molecular formula of Benzotrithiole 2-oxide is C6H4OS3.
What is the molecular weight of Benzotrithiole 2-oxide?
The molecular weight of Benzotrithiole 2-oxide is 187.94 g/mol.
Where can I buy Benzotrithiole 2-oxide?
You can request a quote for Benzotrithiole 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotrithiole 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzotrithiole 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.