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115398-70-4 | 3H-1,2,4-Triazole-3-thione, 4-amino-5-[1-(2,4-dichlorophenoxy)ethyl]-2,4-dihydro-
CAS No: 115398-70-4 Catalog No: AG000FXJ MDL No:
Product Description
Catalog Number:
AG000FXJ
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-amino-5-[1-(2,4-dichlorophenoxy)ethyl]-2,4-dihydro-
CAS Number:
115398-70-4
Molecular Formula:
C10H10Cl2N4OS
Molecular Weight:
305.1836
IUPAC Name:
4-amino-3-[1-(2,4-dichlorophenoxy)ethyl]-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H10Cl2N4OS/c1-5(9-14-15-10(18)16(9)13)17-8-3-2-6(11)4-7(8)12/h2-5H,13H2,1H3,(H,15,18)
InChI Key:
ZVLXVPQNFCLEFV-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)OC(c1n[nH]c(=S)n1N)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.995g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.177g/mol
Monoisotopic Mass:
303.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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