4-Isothiocyanatoaniline
Basic information
- CAS
15191-25-0- Standard SMILES
Nc1ccc(N=C=S)cc1- InChIKey
SBABYCHYIKHAAW-UHFFFAOYSA-N- Molecular formula
- C7H6N2S
- Average molar mass
- 150.2 g/mol
- Monoisotopic mass
- 150.02516937
Names & identifiers
- Preferred name
- 4-Isothiocyanatoaniline
- IUPAC
- 4-isothiocyanatoaniline
- English name
- p-Thiocyanatoaniline
- Molecular formula
- C7H6N2S
- Molecular weight
- 150.2
Names & synonyms
4-Isothiocyanatoaniline15191-25-0p-isothiocyanoanilineSCHEMBL6815770DTXSID40934370SBABYCHYIKHAAW-UHFFFAOYSA-NEINECS 239-249-7NS00051516p-Thiocyanatoanilinep-Aminophenyl thiocyanate4-IsothiocyanatobenzenamineBenzenamine, 4-isothiocyanato-
Show more names
Benzenamine, 4-isothiocyanato- (9CI)
Database identifiers
- CAS
15191-25-0- PubChem CID
- 84829
- DTXSID
DTXSID40934370- EC Number
- 239-249-7
- Nikkaji
- J218.370F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Boiling point
- 311 · 311.0±25.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 3.59 · 3.59±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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