4-[(4-Chlorophenyl)sulfanyl][1,2,4]triazolo[4,3-a]quinoxaline
Basic information
- CAS
245039-48-9- Standard SMILES
Clc1ccc(Sc2nc3ccccc3n3cnnc23)cc1- InChIKey
ZWPPEKVCEXTVJA-UHFFFAOYSA-N- Molecular formula
- C15H9ClN4S
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.0236452
Names & identifiers
- Preferred name
- 4-[(4-Chlorophenyl)sulfanyl][1,2,4]triazolo[4,3-a]quinoxaline
- IUPAC
- 4-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
- English name
- 4-Chlorophenyl [1,2,4]triazolo[4,3-a]quinoxalin-4-yl sulfide
- Molecular formula
- C15H9ClN4S
- Molecular weight
- 312.78
Names & synonyms
245039-48-94-[(4-chlorophenyl)sulfanyl][1,2,4]triazolo[4,3-a]quinoxaline4-(4-chlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline4-[(4-chlorophenyl)sulfanyl]-[1,2,4]triazolo[4,3-a]quinoxalineSCHEMBL7628504DTXSID001196422AKOS00507422010E-9574-((4-Chlorophenyl)thio)-[1,2,4]triazolo[4,3-a]quinoxaline4-[(4-Chlorophenyl)thio][1,2,4]triazolo[4,3-a]quinoxaline4-Chlorophenyl [1,2,4]triazolo[4,3-a]quinoxalin-4-yl sulfide[1,2,4]Triazolo[4,3-a]quinoxaline, 4-[(4-chlorophenyl)thio]-
Database identifiers
- CAS
245039-48-9- PubChem CID
- 1473348
- DTXSID
DTXSID001196422
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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