1,3-Dithiolane, 4-methyl-2-phenethyl-
Basic information
- CAS
102107-33-5- Standard SMILES
CC1CSC(CCc2ccccc2)S1- InChIKey
WOJVVVZQUUZHPN-UHFFFAOYSA-N- Molecular formula
- C12H16S2
- Average molar mass
- 224.4 g/mol
- Monoisotopic mass
- 224.06934286
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 4-methyl-2-phenethyl-
- IUPAC
- 4-methyl-2-(2-phenylethyl)-1,3-dithiolane
Names & synonyms
1,3-DITHIOLANE, 4-METHYL-2-PHENETHYL-102107-33-5RefChem:10529444-Methyl-2-phenethyl-1,3-dithiolaneBRN 55034554-methyl-2-(2-phenylethyl)-1,3-dithiolaneDTXSID30907093
Database identifiers
- CAS
102107-33-5- PubChem CID
- 59217
- DTXSID
DTXSID30907093- Nikkaji
- J91.182H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
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Compound notes
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