ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate
Basic information
- CAS
84608-08-2- Standard SMILES
CCOC(=O)CCCSc1n[nH]c(=O)[nH]c1=O- InChIKey
VQVWLSNHEAZFBA-UHFFFAOYSA-N- Molecular formula
- C9H13N3O4S
- Average molar mass
- 259.28 g/mol
- Monoisotopic mass
- 259.06267708
Names & identifiers
- Preferred name
- ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate
- IUPAC
- ethyl 4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate
Names & synonyms
NSC30718184608-08-2DTXSID60316831NSC-307181DS-007365Ethyl 4-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoateBUTANOIC ACID,4-[(2,3,4,5-TETRAHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-6-YL)THIO]-,ETHYL ESTER
Database identifiers
- CAS
84608-08-2- PubChem CID
- 328546
- DTXSID
DTXSID60316831
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…