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N-[(4-chlorophenyl)methyl]-5-(thiophen-2-yl)-1H-1,2,4-triazol-3-amine

N-[(4-chlorophenyl)methyl]-5-(thiophen-2-yl)-1H-1,2,4-triazol-3-amine

Formula: C13H11ClN4S

SMILES: ClC1=CC=C(CNC2=NNC(=N2)C2=CC=CS2)C=C1

IUPAC: N-[(4-chlorophenyl)methyl]-5-(thiophen-2-yl)-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C13H11ClN4S/c14-10-5-3-9(4-6-10)8-15-13-16-12(17-18-13)11-2-1-7-19-11/h1-7H,8H2,(H2,15,16,17,18)

Composition: C (53.70%), H (3.81%), Cl (12.19%), N (19.27%), S (11.03%)

Molar Mass: 290.77

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 290.0392952
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OXRUGWNENSINGN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.47
Topological Polar Surface Area 53.6
Polarizability 29.63
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H11ClN4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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