Basic information
- CAS
5616-53-5- Standard SMILES
CC1CSC(c2ccccc2)S1- InChIKey
XVRIROCKGOEPAW-UHFFFAOYSA-N- Molecular formula
- C10H12S2
- Average molar mass
- 196.3 g/mol
- Monoisotopic mass
- 196.03804273
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 4-methyl-2-phenyl-
- IUPAC
- 4-methyl-2-phenyl-1,3-dithiolane
Names & synonyms
4-Methyl-2-phenyl-1,3-dithiolaneBRN 55081791,3-DITHIOLANE, 4-METHYL-2-PHENYL-DTXSID10971535RefChem:219203DTXCID6013990465616-53-5SCHEMBL10956530
Database identifiers
- CAS
5616-53-5- PubChem CID
- 21829
- DTXSID
DTXSID10971535- Nikkaji
- J91.183F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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