3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-
Basic information
- CAS
134793-48-9- Standard SMILES
O=C(n1c2ccccc2c2n[nH]c(=S)nc21)C(F)(F)F- InChIKey
AGSZBVGKWLFZNG-UHFFFAOYSA-N- Molecular formula
- C11H5F3N4OS
- Average molar mass
- 298.25 g/mol
- Monoisotopic mass
- 298.01361646
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-
- IUPAC
- 2,2,2-trifluoro-1-(3-sulfanylidene-2H-[1,2,4]triazino[5,6-b]indol-5-yl)ethanone
Names & synonyms
NSC623094134793-48-93H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-NSC-6230941-Trifluoroacetyl-(2,3-e)(3-mercapto-1,2,4-triazin)indole1-Trifluoroacetyl-[2,3-e](3-mercapto-1,2,4-triazin)indole3H-1,2,4-Triazino[5,6-b]indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-NSC 623094R7W924WH4QCHEMBL2005082DTXSID801589522,2,2-trifluoro-1-{3-sulfanyl-5H-[1,2,4]triazino[5,6-b]indol-5-yl}ethan-1-one
Show more names
NCI60_0068841-(2,3-Dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indol-5-yl)-2,2,2-trifluoroethanone2,2,2-trifluoro-1-(3-sulfanyl-[1,2,4]triazino[5,6-b]indol-5-yl)ethanoneEthanone, 1-(2,3-dihydro-3-thioxo-5H-1,2,4-triazino[5,6-b]indol-5-yl)-2,2,2-trifluoro-2,2,2-Trifluoro-1-(3-sulfanylidene-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)ethan-1-one
Database identifiers
- CAS
134793-48-9- PubChem CID
- 3000333
- DTXSID
DTXSID80158952- ChEMBL
CHEMBL2005082- UNII
- R7W924WH4Q
- Nikkaji
- J370.062C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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