5,7-Dimethyl-3-(methylthio)pyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione

HCID 256641

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Basic information

CAS: 7271-94-5
Standard SMILES: CSc1nnc2c(=O)n(C)c(=O)n(C)c2n1
InChIKey: UOBNSKFAKGYAQS-UHFFFAOYSA-N
Molecular formula: C8H9N5O2S
Average molar mass: 239.26 g/mol
Monoisotopic mass: 239.04769572

Names & identifiers

Preferred name: 5,7-Dimethyl-3-(methylthio)pyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dione
IUPAC: 5,7-dimethyl-3-methylsulfanylpyrimido[4,5-e][1,2,4]triazine-6,8-dione
English name: Pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 5,7-dimethyl-3-(methy lthio)-
Molecular formula: C8H9N5O2S
Molecular weight: 239.25

Names & synonyms

7271-94-5NSC 83673UNII-71KN41478371KN414783Pyrimido(4,5-e)-1,2,4-triazine-6,8(5H,7H)-dione, 5,7-dimethyl-3-(methylthio)-NSC-83673DTXSID802230135,7-Dimethyl-3-(methylthio)pyrimido(4,5-E)-1,2,4-triazine-6,8(5H,7H)-dionePYRIMIDO(4,5-E)-AS-TRIAZINE-6,8(5H,7H)-DIONE, 5,7-DIMETHYL-3-(METHYLTHIO)-Pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 5,7-dimethyl-3-(methylthio)-RefChem:198827DTXCID80145504

Show more names

Pyrimido[4,5-e]-1,2,4-triazine-6,8(5H,7H)-dione, 5,7-dimethyl-3-(methy lthio)-

NSC83673NCIOpen2_004506AKOS0052275615,7-dimethyl-3-methylsulfanyl-pyrimido[4,5-e][1,2,4]triazine-6,8-dione5,7-dimethyl-3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione

Database identifiers

CAS: 7271-94-5
PubChem CID

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 105 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 326

Physicochemical properties

FDA UNII: 71 KN414783 · 71KN414783

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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