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115398-66-8 | 3H-1,2,4-Triazole-3-thione, 4-amino-5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dihydro-
CAS No: 115398-66-8 Catalog No: AG000FXM MDL No:
Product Description
Catalog Number:
AG000FXM
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-amino-5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dihydro-
CAS Number:
115398-66-8
Molecular Formula:
C10H11ClN4OS
Molecular Weight:
270.7385
IUPAC Name:
4-amino-3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H11ClN4OS/c1-6-4-7(11)2-3-8(6)16-5-9-13-14-10(17)15(9)12/h2-4H,5,12H2,1H3,(H,14,17)
InChI Key:
UWHWURSWWTXJRS-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C)OCc1n[nH]c(=S)n1N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.735g/mol
Monoisotopic Mass:
270.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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