2-Methyl-3-(2,5-dimethylphenylthio)propane
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Basic information
- Standard SMILES
Cc1ccc(C)c(SCC(C)C)c1- InChIKey
ZEHPUCIBMIYHFA-UHFFFAOYSA-N- Molecular formula
- C12H18S
- Average molar mass
- 194.34 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-3-(2,5-dimethylphenylthio)propane
- IUPAC
- 1,4-dimethyl-2-(2-methylpropylsulfanyl)benzene
Names & synonyms
SCHEMBL6725507ZEHPUCIBMIYHFA-UHFFFAOYSA-N2-methyl-3-(2,5-dimethylphenylthio)propane2-methyl-3-(2,5-dimethylphenylthio)-propane
Database identifiers
- PubChem CID
- 23450666
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 142
Related reactions
6 records
Compound notes
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