Basic information
- CAS
24168-34-1- Standard SMILES
O=C(Sc1n[nH]c(=O)[nH]c1=O)c1ccccc1- InChIKey
NADNGNYULOPOGE-UHFFFAOYSA-N- Molecular formula
- C10H7N3O3S
- Average molar mass
- 249.25 g/mol
- Monoisotopic mass
- 249.02081227
Names & identifiers
- Preferred name
- 1,2,4-Triazine-3,5(2H,4H)-dione, 6-benzoylthio-
- IUPAC
- S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate
Names & synonyms
MLS002706792NSC118349CHEMBL1719648DTXSID40946993NADNGNYULOPOGE-UHFFFAOYSA-NAKOS002346542NSC-118349SMR001574191AB00682022-011,2,4-Triazine-3,5(2H,4H)-dione, 6-benzoylthio-S-(3,5-Dihydroxy-1,2,4-triazin-6-yl) benzenecarbothioateS-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate #
Database identifiers
- CAS
24168-34-1- PubChem CID
- 273249
- DTXSID
DTXSID40946993- ChEMBL
CHEMBL1719648
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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