(Methyldisulfanyl)methyl benzoate
TL;DR: (Methyldisulfanyl)methyl benzoate (CAS 89024-29-3) is a chemical compound with molecular formula C9H10O2S2 and molecular weight 214.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(methyldisulfanyl)methyl benzoate
Also Known As: Methyldisulfanylmethyl Benzoate, benzoic acid,(methyldisulfanyl)methanol
| Molecular Formula | C9H10O2S2 |
|---|---|
| Molecular Weight | 214.01 g/mol |
| LogP | 2.8121 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.01222 |
| Heavy Atoms | 13 |
| Complexity | 261.57703 |
Chemical Identifiers
| CAS Number | 89024-29-3 |
|---|---|
| SMILES | CSSCOC(=O)C1=CC=CC=C1 |
Product Overview
(Methyldisulfanyl)methyl benzoate (CAS 89024-29-3), with molecular formula C9H10O2S2 and molecular weight 214.01 g/mol. IUPAC: (methyldisulfanyl)methyl benzoate.
Chemical Property Profile of (Methyldisulfanyl)methyl benzoate
Property Insights of (Methyldisulfanyl)methyl benzoate
The XLogP value of 2.8121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Methyldisulfanyl)methyl benzoate. With a topological polar surface area (TPSA) of 26.3 Ų, (Methyldisulfanyl)methyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Methyldisulfanyl)methyl benzoate 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 (Methyldisulfanyl)methyl benzoate?
The CAS number of (Methyldisulfanyl)methyl benzoate is 89024-29-3.
What is the molecular formula of (Methyldisulfanyl)methyl benzoate?
The molecular formula of (Methyldisulfanyl)methyl benzoate is C9H10O2S2.
What is the molecular weight of (Methyldisulfanyl)methyl benzoate?
The molecular weight of (Methyldisulfanyl)methyl benzoate is 214.01 g/mol.
Where can I buy (Methyldisulfanyl)methyl benzoate?
You can request a quote for (Methyldisulfanyl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Methyldisulfanyl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Methyldisulfanyl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.