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115398-71-5 | 3H-1,2,4-Triazole-3-thione, 4-amino-5-[1-(4-chloro-2-methylphenoxy)ethyl]-2,4-dihydro-
CAS No: 115398-71-5 Catalog No: AG000FXI MDL No:
Product Description
Catalog Number:
AG000FXI
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-amino-5-[1-(4-chloro-2-methylphenoxy)ethyl]-2,4-dihydro-
CAS Number:
115398-71-5
Molecular Formula:
C11H13ClN4OS
Molecular Weight:
284.7651
IUPAC Name:
4-amino-3-[1-(4-chloro-2-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H13ClN4OS/c1-6-5-8(12)3-4-9(6)17-7(2)10-14-15-11(18)16(10)13/h3-5,7H,13H2,1-2H3,(H,15,18)
InChI Key:
BIMWGXNAMCQIOA-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)OC(c1n[nH]c(=S)n1N)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.05g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.762g/mol
Monoisotopic Mass:
284.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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