1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl-
Basic information
- CAS
83521-81-7- Standard SMILES
CC1CSC(C(C)c2ccccc2)S1- InChIKey
BYDCYSBHNYHCCP-UHFFFAOYSA-N- Molecular formula
- C12H16S2
- Average molar mass
- 224.4 g/mol
- Monoisotopic mass
- 224.06934286
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(alpha-methylbenzyl)-4-methyl-
- IUPAC
- 4-methyl-2-(1-phenylethyl)-1,3-dithiolane
Names & synonyms
83521-81-71,3-DITHIOLANE, 2-(alpha-METHYLBENZYL)-4-METHYL-RefChem:1052938BRN 55105814-methyl-2-(1-phenylethyl)-1,3-dithiolane2-(alpha-Methylbenzyl)-4-methyl-1,3-dithiolaneDTXSID501003501
Database identifiers
- CAS
83521-81-7- PubChem CID
- 55023
- DTXSID
DTXSID501003501- Nikkaji
- J91.177A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 175
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Compound notes
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