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3-({[1,1'-biphenyl]-4-ylmethyl}sulfanyl)-6-methyl-1,2,4,5-tetrazine

3-({[1,1'-biphenyl]-4-ylmethyl}sulfanyl)-6-methyl-1,2,4,5-tetrazine

Formula: C16H14N4S

SMILES: CC1=NN=C(SCC2=CC=C(C=C2)C2=CC=CC=C2)N=N1

IUPAC: 3-[({[1,1'-biphenyl]-4-yl}methyl)sulfanyl]-6-methyl-1,2,4,5-tetrazine

InChI: InChI=1S/C16H14N4S/c1-12-17-19-16(20-18-12)21-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10H,11H2,1H3

Composition: C (65.28%), H (4.79%), N (19.03%), S (10.89%)

Molar Mass: 294.38

Atom Count: 35

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 294.093917641
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey YATUIOCNNCZRCH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.55
Topological Polar Surface Area 51.56
Polarizability 34.05
Ring Count 3
Rotatable Bond Count 4

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