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5-(2-ethoxyphenyl)-4-methyl-5H-1,2,4-triazole-3-thione

5-(2-ethoxyphenyl)-4-methyl-5H-1,2,4-triazole-3-thione

CAS: 725245-13-6

Formula: C11H13N3OS

SMILES: CCOC1=CC=CC=C1C1N=NC(=S)N1C

IUPAC: 5-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-3H-1,2,4-triazole-3-thione

InChI: InChI=1/C11H13N3OS/c1-3-15-9-7-5-4-6-8(9)10-12-13-11(16)14(10)2/h4-7,10H,3H2,1-2H3

Composition: C (56.15%), H (5.57%), N (17.86%), O (6.80%), S (13.62%)

Molar Mass: 235.31

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 235.077933225
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey MGXHVZIMYVLNOK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.32
Topological Polar Surface Area 37.19
Polarizability 25.77
Ring Count 2
Rotatable Bond Count 3

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97% <7 Days 725245-13-6 $381.48-$1,161.27$381.48$1,161.27
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