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87562-56-9 | 3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-nonyl-
CAS No: 87562-56-9 Catalog No: AG004RLC MDL No:
Product Description
Catalog Number:
AG004RLC
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-amino-2,4-dihydro-5-nonyl-
CAS Number:
87562-56-9
Molecular Formula:
C11H22N4S
Molecular Weight:
242.3842
IUPAC Name:
4-amino-3-nonyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H22N4S/c1-2-3-4-5-6-7-8-9-10-13-14-11(16)15(10)12/h2-9,12H2,1H3,(H,14,16)
InChI Key:
QEPOWMHOZCXVDI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1n[nH]c(=S)n1N
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.385g/mol
Monoisotopic Mass:
242.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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