o-Toluoyl disulfide
TL;DR: o-Toluoyl disulfide (CAS 79674-08-1) is a chemical compound with molecular formula C16H14O2S2 and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-methylbenzoyl)sulfanyl 2-methylbenzenecarbothioate
Also Known As: o-Toluoyl disulfide, S-(2-methylbenzoyl)sulfanyl 2-methylbenzenecarbothioate
| Molecular Formula | C16H14O2S2 |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.04352 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 79674-08-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)SSC(=O)C2=CC=CC=C2C |
| InChIKey | HDANQWZTMOZAMH-UHFFFAOYSA-N |
Product Overview
o-Toluoyl disulfide (CAS 79674-08-1), with molecular formula C16H14O2S2 and molecular weight 302.04 g/mol. IUPAC: S-(2-methylbenzoyl)sulfanyl 2-methylbenzenecarbothioate.
Chemical Property Profile of o-Toluoyl disulfide
Property Insights of o-Toluoyl disulfide
The XLogP value of 4.5 indicates that o-Toluoyl disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Toluoyl disulfide. Following Lipinski's Rule of Five, o-Toluoyl disulfide 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 o-Toluoyl disulfide?
The CAS number of o-Toluoyl disulfide is 79674-08-1.
What is the molecular formula of o-Toluoyl disulfide?
The molecular formula of o-Toluoyl disulfide is C16H14O2S2.
What is the molecular weight of o-Toluoyl disulfide?
The molecular weight of o-Toluoyl disulfide is 302.04 g/mol.
Where can I buy o-Toluoyl disulfide?
You can request a quote for o-Toluoyl disulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Toluoyl disulfide?
Yes, KEHONG BIO provides custom synthesis services for o-Toluoyl disulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.