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86628-04-8 | 3H-1,2,4-Triazole-3-thione, 4-amino-5-hexyl-2,4-dihydro-
CAS No: 86628-04-8 Catalog No: AG004TYJ MDL No:
Product Description
Catalog Number:
AG004TYJ
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-amino-5-hexyl-2,4-dihydro-
CAS Number:
86628-04-8
Molecular Formula:
C8H16N4S
Molecular Weight:
200.3044
IUPAC Name:
4-amino-3-hexyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C8H16N4S/c1-2-3-4-5-6-7-10-11-8(13)12(7)9/h2-6,9H2,1H3,(H,11,13)
InChI Key:
CGEHTOHWIQCMIH-UHFFFAOYSA-N
SMILES:
CCCCCCc1n[nH]c(=S)n1N
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.304g/mol
Monoisotopic Mass:
200.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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