3-(2-(4-Methylphenyl)thioethyl)-5-sydnone
Basic information
- CAS
96991-48-9- Standard SMILES
Cc1ccc(SCC[n+]2cc([O-])on2)cc1- InChIKey
ABEBSOCCFCCWFY-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S
- Average molar mass
- 236.29 g/mol
- Monoisotopic mass
- 236.0619488
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-(2-(4-Methylphenyl)thioethyl)-5-sydnone
- IUPAC
- 3-[2-(4-methylphenyl)sulfanylethyl]oxadiazol-3-ium-5-olate
- English name
- 3-(2-(4-methylphenyl)thioethyl)-5-sydnone
- Molecular formula
- C11H12N2O2S
- Molecular weight
- 236.29
Names & synonyms
3-Mptes3-(2-(4-Methylphenyl)thioethyl)-5-sydnone96991-48-9RefChem:92142Sydnone, 3-(2-((4-methylphenyl)thio)ethyl)-3--sydnone
Database identifiers
- CAS
96991-48-9- PubChem CID
- 126147
- Nikkaji
- J591.475B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 210
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…