3-(2-Phenyl-1,3-dithian-2-yl)-1H-indole
Basic information
- CAS
57621-00-8- Standard SMILES
c1ccc(C2(c3c[nH]c4ccccc34)SCCCS2)cc1- InChIKey
JIXINWOSAJVXJU-UHFFFAOYSA-N- Molecular formula
- C18H17NS2
- Average molar mass
- 311.5 g/mol
- Monoisotopic mass
- 311.08024189
Names & identifiers
- Preferred name
- 3-(2-Phenyl-1,3-dithian-2-yl)-1H-indole
- IUPAC
- 3-(2-phenyl-1,3-dithian-2-yl)-1H-indole
Names & synonyms
3-(2-Phenyl-1,3-dithian-2-yl)-1H-indole57621-00-8DTXSID30849944
Database identifiers
- CAS
57621-00-8- PubChem CID
- 71440992
- DTXSID
DTXSID30849944
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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