Benzyl hydrodisulfide
TL;DR: Benzyl hydrodisulfide (CAS 39588-45-9) is a chemical compound with molecular formula C7H8S2 and molecular weight 156.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disulfanylmethylbenzene
Also Known As: Benzyl hydrodisulfide, Benzyldisulfide, disulfanylmethylbenzene, benzyl-disulfane, benzylhydrodisulfide
| Molecular Formula | C7H8S2 |
|---|---|
| Molecular Weight | 156.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.00674 |
| Heavy Atoms | 9 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 39588-45-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSS |
| InChIKey | NSBVMRLTDBAOBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl hydrodisulfide (CAS 39588-45-9), with molecular formula C7H8S2 and molecular weight 156.01 g/mol. IUPAC: disulfanylmethylbenzene.
Chemical Property Profile of Benzyl hydrodisulfide
Property Insights of Benzyl hydrodisulfide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl hydrodisulfide. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl hydrodisulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl hydrodisulfide 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 Benzyl hydrodisulfide?
The CAS number of Benzyl hydrodisulfide is 39588-45-9.
What is the molecular formula of Benzyl hydrodisulfide?
The molecular formula of Benzyl hydrodisulfide is C7H8S2.
What is the molecular weight of Benzyl hydrodisulfide?
The molecular weight of Benzyl hydrodisulfide is 156.01 g/mol.
Where can I buy Benzyl hydrodisulfide?
You can request a quote for Benzyl hydrodisulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl hydrodisulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl hydrodisulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.