Basic information
- CAS
401-13-8- Standard SMILES
Nc1cc(F)c(F)cc1Sc1cc(F)c(F)cc1N- InChIKey
JYCYVTHXSQIVKB-UHFFFAOYSA-N- Molecular formula
- C12H8F4N2S
- Average molar mass
- 288.27 g/mol
- Monoisotopic mass
- 288.03443209
Names & identifiers
- Preferred name
- 2,2'-Sulfanediylbis(4,5-difluoroaniline)
- IUPAC
- 2-(2-amino-4,5-difluorophenyl)sulfanyl-4,5-difluoroaniline
Names & synonyms
401-13-8NSC4030422,2'-Sulfanediylbis(4,5-difluoroaniline)DTXSID80323103NSC-403042
Database identifiers
- CAS
401-13-8- PubChem CID
- 345416
- DTXSID
DTXSID80323103
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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