Basic information
- CAS
54895-04-4- Standard SMILES
CCC(C)(SCCl)c1ccccc1- InChIKey
MFHZXFRLYDPCTG-UHFFFAOYSA-N- Molecular formula
- C11H15ClS
- Average molar mass
- 214.76 g/mol
- Monoisotopic mass
- 214.0582993
Names & identifiers
- Preferred name
- {2-[(Chloromethyl)sulfanyl]butan-2-yl}benzene
- IUPAC
- 2-(chloromethylsulfanyl)butan-2-ylbenzene
Names & synonyms
54895-04-4{2-[(Chloromethyl)sulfanyl]butan-2-yl}benzeneSCHEMBL11796117DTXSID00614722MFHZXFRLYDPCTG-UHFFFAOYSA-Nchloromethyl alpha-ethyl-alpha-methylbenzyl sulfide
Database identifiers
- CAS
54895-04-4- PubChem CID
- 21489068
- DTXSID
DTXSID00614722
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
Related reactions
1 records
Compound notes
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