Basic information
- CAS
1154894-64-0- Standard SMILES
CC(N)c1ccc(Sc2cc(F)ccc2F)cc1- InChIKey
HJUFVQHFMRFHHT-UHFFFAOYSA-N- Molecular formula
- C14H13F2NS
- Average molar mass
- 265.32 g/mol
- Monoisotopic mass
- 265.07367692
Names & identifiers
- Preferred name
- 1-{4-[(2,5-Difluorophenyl)sulfanyl]phenyl}ethan-1-amine
- IUPAC
- 1-[4-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
Names & synonyms
DTXSID201193824AKOS0058400001154894-64-01-{4-[(2,5-Difluorophenyl)sulfanyl]phenyl}ethan-1-amineBenzenemethanamine, 4-[(2,5-difluorophenyl)thio]-I+/--methyl-
Database identifiers
- CAS
1154894-64-0- PubChem CID
- 43519084
- DTXSID
DTXSID201193824
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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