Basic information
- CAS
7714-33-2- Standard SMILES
CSC#Cc1ccccc1- InChIKey
UOANPCUVSWEPEO-UHFFFAOYSA-N- Molecular formula
- C9H8S
- Average molar mass
- 148.23 g/mol
- Monoisotopic mass
- 148.03467143
Names & identifiers
- Preferred name
- [(Methylthio)ethynyl]benzene
- IUPAC
- 2-methylsulfanylethynylbenzene
Names & synonyms
benzene, [(methylthio)ethynyl]-[(methylthio)ethynyl]benzene7714-33-2DTXSID10348728((methylthio)ethynyl)benzenebenzene, ((methylthio)ethynyl)-RefChem:203596DTXCID90299800InChI=1/C9H8S/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,1Hmethyl(phenylethynyl)sulfane[(methylsulfanyl)ethynyl]benzenemethyl phenylethynyl sulfide
Show more names
2-methylsulfanyl-ethynyl-benzeneSCHEMBL10887521MFCD00229870
Database identifiers
- CAS
7714-33-2- PubChem CID
- 640372
- DTXSID
DTXSID10348728- Nikkaji
- J582.455I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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