Basic information
- CAS
51102-73-9- Standard SMILES
c1ccc(C(=C2SCSCS2)c2ccccc2)cc1- InChIKey
WPGHFVHWTWRQMY-UHFFFAOYSA-N- Molecular formula
- C16H14S3
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.02576397
Names & identifiers
- Preferred name
- 1,3,5-Trithiane, 2-(diphenylmethylene)-
- IUPAC
- 2-benzhydrylidene-1,3,5-trithiane
Names & synonyms
1,3,5-Trithiane, 2-(diphenylmethylene)-51102-73-9DTXSID30484819RefChem:217544DTXCID304356292-(DIPHENYLMETHYLIDENE)-1,3,5-TRITHIANE
Database identifiers
- CAS
51102-73-9- PubChem CID
- 12289647
- DTXSID
DTXSID30484819
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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