Basic information
- CAS
292053-23-7- Standard SMILES
C=C(C)CSc1n[nH]c(=O)[nH]c1=O- InChIKey
JVLNXEMXVSUMRE-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2S
- Average molar mass
- 199.23 g/mol
- Monoisotopic mass
- 199.04154771
Names & identifiers
- Preferred name
- 6-((2-Methyl-2-propenyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione
- IUPAC
- 6-(2-methylprop-2-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione
- English name
- 6-(2-methylprop-2-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione
- Molecular formula
- C7H9N3O2S
- Molecular weight
- 199.23
Names & synonyms
AKOS002345871AE-641/12195093SR-01000419605SR-01000419605-16-((2-METHYL-2-PROPENYL)THIO)-1,2,4-TRIAZINE-3,5(2H,4H)-DIONE6-[(2-methyl-2-propenyl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dione6-(2-methylprop-2-enylsulfanyl)-2H-1,2,4-triazine-3,5-dione1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(2-methyl-2-propen-1-yl)thio]-
Database identifiers
- CAS
292053-23-7- PubChem CID
- 5228569
- EC Number
- 122-934-9
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 6.83 · 6.83±0.40(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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