Basic information
- Standard SMILES
CNC(=N[N+](=O)[O-])SC- InChIKey
MCPDALPEUAUISM-UHFFFAOYSA-N- Molecular formula
- C3H7N3O2S
- Average molar mass
- 149.17 g/mol
Names & identifiers
- Preferred name
- 1,2-Dimethyl-3-nitroisothiourea
- IUPAC
- methyl N-methyl-N'-nitrocarbamimidothioate
Names & synonyms
SCHEMBL78305051,2-dimethyl-3-nitroisothioureaN,S-dimethyl-N'-nitroisothioureaMCPDALPEUAUISM-UHFFFAOYSA-N1,2-dimethyl -3-nitroisothioureaS-methyl-N-nitro-N'-methyisothioureaS-methyl-N-methyl-N'-nitroisothioureas-methyl n-nitro-n'-methylcarbamimidothioate
Database identifiers
- PubChem CID
- 136227017
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 130
Related reactions
40 records
Compound notes
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