Basic information
- Standard SMILES
CNC(=S)NS(=O)(=O)C(F)(F)F- InChIKey
CTSGAWYPTVVBBP-UHFFFAOYSA-N- Molecular formula
- C3H5F3N2O2S2
- Average molar mass
- 222.21 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-3-trifluoromethanesulphonylthiourea
- IUPAC
- 1-methyl-3-(trifluoromethylsulfonyl)thiourea
Names & synonyms
1-methyl-3-trifluoromethanesulphonylthioureaSCHEMBL10675495
Database identifiers
- PubChem CID
- 21298882
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 264
Related reactions
4 records
Compound notes
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