2-[(4-Fluorophenyl)methylsulfanyl]aniline
Basic information
- CAS
710292-49-2- Standard SMILES
Nc1ccccc1SCc1ccc(F)cc1- InChIKey
CBQNUUSADNBAOX-UHFFFAOYSA-N- Molecular formula
- C13H12FNS
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.06744872
Names & identifiers
- Preferred name
- 2-[(4-Fluorophenyl)methylsulfanyl]aniline
- IUPAC
- 2-[(4-fluorophenyl)methylsulfanyl]aniline
- English name
- 2-[(4-fluorobenzyl)thio]aniline
- Molecular formula
- C13H12FNS
- Molecular weight
- 233.3
Names & synonyms
710292-49-22-[(4-fluorophenyl)methylsulfanyl]aniline2-[(4-FLUOROBENZYL)THIO]ANILINEDTXSID204024862-[(4-fluorobenzyl)sulfanyl]anilineSTL291131AKOS000192985{2-[(4-Fluorobenzyl)thio]phenyl}amineDB-1817362-{[(4-FLUOROPHENYL)METHYL]SULFANYL}ANILINEUKRORGSYN-BB BBV-085057Benzenamine, 2-[[(4-fluorophenyl)methyl]thio]-
Show more names
2-[(4-fluorobenzyl)thio]aniline(SALTDATA: HCl)
Database identifiers
- CAS
710292-49-2- PubChem CID
- 4369752
- DTXSID
DTXSID20402486
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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