Ethyl 2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylate
Basic information
- CAS
51942-83-7- Standard SMILES
CCOC(=O)c1nn(C)c(=S)[nH]c1=O- InChIKey
YSXOFEQEDSIPBN-UHFFFAOYSA-N- Molecular formula
- C7H9N3O3S
- Average molar mass
- 215.23 g/mol
- Monoisotopic mass
- 215.03646233
Names & identifiers
- Preferred name
- Ethyl 2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylate
- IUPAC
- ethyl 2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylate
Names & synonyms
NSC5238651942-83-7ethyl 2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylateDTXSID40398110NSC-52386DS-000847Ethyl 2-methyl-5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylate
Database identifiers
- CAS
51942-83-7- PubChem CID
- 3940535
- DTXSID
DTXSID40398110
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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