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

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

CAS: 447412-27-3

Formula: C11H12ClN3OS

SMILES: CN1C(COC2=CC=C(Cl)C(C)=C2)N=NC1=S

IUPAC: 5-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-4,5-dihydro-3H-1,2,4-triazole-3-thione

InChI: InChI=1/C11H12ClN3OS/c1-7-5-8(3-4-9(7)12)16-6-10-13-14-11(17)15(10)2/h3-5,10H,6H2,1-2H3

Composition: C (48.98%), H (4.48%), Cl (13.14%), N (15.58%), O (5.93%), S (11.89%)

Molar Mass: 269.75

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 269.0389609
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AWOMLBXGHDWULH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.89
Topological Polar Surface Area 37.19
Polarizability 27.58
Ring Count 2
Rotatable Bond Count 3

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