5,6-Bis(methylsulfanyl)-1,2,4-triazin-3(2h)-one
Basic information
- CAS
31697-22-0- Standard SMILES
CSc1n[nH]c(=O)nc1SC- InChIKey
LLRWVMAZBKUTER-UHFFFAOYSA-N- Molecular formula
- C5H7N3OS2
- Average molar mass
- 189.3 g/mol
- Monoisotopic mass
- 189.0030542
Names & identifiers
- Preferred name
- 5,6-Bis(methylsulfanyl)-1,2,4-triazin-3(2h)-one
- IUPAC
- 5,6-bis(methylsulfanyl)-2H-1,2,4-triazin-3-one
Names & synonyms
31697-22-05,6-bis(methylsulfanyl)-1,2,4-triazin-3(2h)-oneNSC118356DTXSID20297819NSC-118356
Database identifiers
- CAS
31697-22-0- PubChem CID
- 273256
- DTXSID
DTXSID20297819
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 236
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Compound notes
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