1H-Pyrrole-1-ethanethiol, 2,5-diphenyl-
Basic information
- CAS
153687-06-0- Standard SMILES
SCCn1c(-c2ccccc2)ccc1-c1ccccc1- InChIKey
WXNQFSBDSXBSOV-UHFFFAOYSA-N- Molecular formula
- C18H17NS
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.10817072
Names & identifiers
- Preferred name
- 1H-Pyrrole-1-ethanethiol, 2,5-diphenyl-
- IUPAC
- 2-(2,5-diphenylpyrrol-1-yl)ethanethiol
Names & synonyms
2,5-Diphenyl N-ethanethiol pyrrole1H-Pyrrole-1-ethanethiol, 2,5-diphenyl-2,5-Diphenyl-1H-pyrrole-1-ethanethiol153687-06-0DTXSID00165406RefChem:240416DTXCID70878972-(2,5-diphenyl-1H-pyrrol-1-yl)ethane-1-thiol
Database identifiers
- CAS
153687-06-0- PubChem CID
- 3073871
- DTXSID
DTXSID00165406- Nikkaji
- J564.542E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 5.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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