Basic information
- CAS
51808-05-0- Standard SMILES
CN1C(Sc2ccccc2)=NN(c2ccccc2)CN1c1ccccc1- InChIKey
ZAPSLLKMECMGEY-UHFFFAOYSA-N- Molecular formula
- C21H20N4S
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.14086783
Names & identifiers
- Preferred name
- 1-Methyl-2,4-diphenyl-6-(phenylsulfanyl)-1,2,3,4-tetrahydro-1,2,4,5-tetrazine
- IUPAC
- 1-methyl-2,4-diphenyl-6-phenylsulfanyl-3H-1,2,4,5-tetrazine
Names & synonyms
51808-05-0NSC299954DTXSID50316148NSC-2999541-Methyl-2,4-diphenyl-6-(phenylsulfanyl)-1,2,3,4-tetrahydro-1,2,4,5-tetrazine
Database identifiers
- CAS
51808-05-0- PubChem CID
- 327009
- DTXSID
DTXSID50316148
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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