1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine
Basic information
- CAS
51808-03-8- Standard SMILES
CSC1=NN(c2ccccc2)CN(c2ccccc2)N1C- InChIKey
URGJVCWANUHTCB-UHFFFAOYSA-N- Molecular formula
- C16H18N4S
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.12521776
Names & identifiers
- Preferred name
- 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine
- IUPAC
- 1-methyl-6-methylsulfanyl-2,4-diphenyl-3H-1,2,4,5-tetrazine
Names & synonyms
MLS00311574351808-03-8NSC299953CHEMBL2131545DTXSID90316147NSC-299953SMR0018313141-Methyl-6-(methylsulfanyl)-2,4-diphenyl-1,2,3,4-tetrahydro-1,2,4,5-tetrazine
Database identifiers
- CAS
51808-03-8- PubChem CID
- 327008
- DTXSID
DTXSID90316147- ChEMBL
CHEMBL2131545
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
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Compound notes
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