Basic information
- CAS
871110-05-3- Standard SMILES
CSc1c2c(nn1-c1ccccc1)-c1ccccc1CC2- InChIKey
DWTPTXGINNCIGM-UHFFFAOYSA-N- Molecular formula
- C18H16N2S
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.10341969
Names & identifiers
- Preferred name
- 3-Methylthio-2-phenyl-4,5-dihydro-2H-benzo[g]indazole
- IUPAC
- 3-methylsulfanyl-2-phenyl-4,5-dihydrobenzo[g]indazole
- English name
- 3-Methylthio-2-phenyl-4,5-dihydro-2H-benzo[g]indazole
- Molecular formula
- C18H16N2S
- Molecular weight
- 292.4
Names & synonyms
871110-05-33-Methylthio-2-phenyl-4,5-dihydro-2H-benzo[g]indazole3-methylsulfanyl-2-phenyl-4,5-dihydrobenzo[g]indazole3-(Methylthio)-2-phenyl-4,5-dihydro-2H-benzo[g]indazoleDTXSID904705363-(Methylsulfanyl)-2-phenyl-4,5-dihydro-2H-benzo[g]indazole
Database identifiers
- CAS
871110-05-3- PubChem CID
- 11680872
- DTXSID
DTXSID90470536- Nikkaji
- J2.267.990B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 355
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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