Basic information
- Standard SMILES
Cc1cc(N=C=S)ccc1[N+](=O)[O-]- InChIKey
ODKLJMCSCVUOGH-UHFFFAOYSA-N- Molecular formula
- C8H6N2O2S
- Average molar mass
- 194.21 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-4-nitrophenyl isothiocyanate
- IUPAC
- 4-isothiocyanato-2-methyl-1-nitrobenzene
Names & synonyms
285125-75-93-methyl-4-nitrophenyl isothiocyanate4-isothiocyanato-2-methyl-1-nitrobenzeneSCHEMBL7116954ODKLJMCSCVUOGH-UHFFFAOYSA-NMFCD22557689SY329106
Database identifiers
- PubChem CID
- 18316341
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
6 records
Compound notes
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