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N,N-dimethyl-4-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline

N,N-dimethyl-4-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline

Formula: C19H19N5S

SMILES: CN(C)C1=CC=C(C=C1)C1=NN=C2SC(CCC3=CC=CC=C3)=NN12

IUPAC: N,N-dimethyl-4-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline

InChI: InChI=1S/C19H19N5S/c1-23(2)16-11-9-15(10-12-16)18-20-21-19-24(18)22-17(25-19)13-8-14-6-4-3-5-7-14/h3-7,9-12H,8,13H2,1-2H3

Composition: C (65.30%), H (5.48%), N (20.04%), S (9.17%)

Molar Mass: 349.46

Atom Count: 44

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 349.136116806
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey CTCJKSSEOPZQAF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 135.12
Topological Polar Surface Area 46.32
Polarizability 38.43
Ring Count 4
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H19N5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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