Basic information
- Standard SMILES
Cn1sncc1=O- InChIKey
UVBHWOXJOBTKBP-UHFFFAOYSA-N- Molecular formula
- C3H4N2OS
- Average molar mass
- 116.14 g/mol
- Monoisotopic mass
- 116.00443393
Names & identifiers
- Preferred name
- 2-Methyl-1,2,5-thiadiazole-3-one
- IUPAC
- 2-methyl-1,2,5-thiadiazol-3-one
Names & synonyms
67863-07-42-methyl-1,2,5-Thiadiazol-3(2H)-oneSCHEMBL8421644UVBHWOXJOBTKBP-UHFFFAOYSA-UVBHWOXJOBTKBP-UHFFFAOYSA-N2-Methyl-1,2,5-thiadiazole-3-oneDA-25966InChI=1/C3H4N2OS/c1-5-3(6)2-4-7-5/h2H,1H3
Database identifiers
- PubChem CID
- 12495458
- Nikkaji
- J1.741.759B
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 122
Related reactions
2 records
Compound notes
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