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7-{[1,1'-biphenyl]-4-yl}-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-{[1,1'-biphenyl]-4-yl}-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

CAS: 303995-99-5

Formula: C18H14N4S

SMILES: CSC1=NN2C(=N1)N=CC=C2C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 7-{[1,1'-biphenyl]-4-yl}-2-(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

InChI: InChI=1S/C18H14N4S/c1-23-18-20-17-19-12-11-16(22(17)21-18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12H,1H3

Composition: C (67.90%), H (4.43%), N (17.60%), S (10.07%)

Molar Mass: 318.4

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 318.093917641
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey SGVLHLJTBUQRCS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.46
Topological Polar Surface Area 43.08
Polarizability 38.44
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 303995-99-5 $51.35-$86.31$51.35$63.37$86.31
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