5-([1,1'-Biphenyl]-4-yl)-6H-1,3,4-thiadiazin-2-amine
Basic information
- CAS
139420-58-9- Standard SMILES
NC1=NN=C(c2ccc(-c3ccccc3)cc2)CS1- InChIKey
MAWMJTVOPQDOSZ-UHFFFAOYSA-N- Molecular formula
- C15H13N3S
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.0830186
Names & identifiers
- Preferred name
- 5-([1,1'-Biphenyl]-4-yl)-6H-1,3,4-thiadiazin-2-amine
- IUPAC
- 5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-amine
Names & synonyms
DTXSID101226696139420-58-95-([1,1'-Biphenyl]-4-yl)-6H-1,3,4-thiadiazin-2-amine5-[1,1a(2)-Biphenyl]-4-yl-6H-1,3,4-thiadiazin-2-amine
Database identifiers
- CAS
139420-58-9- PubChem CID
- 834895
- DTXSID
DTXSID101226696- Nikkaji
- J492.455J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
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Compound notes
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