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100599-71-1 | 1H-1,2,4-Triazol-3-amine, 5-(hexylthio)-
CAS No: 100599-71-1 Catalog No: AG0002EY MDL No:
Product Description
Catalog Number:
AG0002EY
Chemical Name:
1H-1,2,4-Triazol-3-amine, 5-(hexylthio)-
CAS Number:
100599-71-1
Molecular Formula:
C8H16N4S
Molecular Weight:
200.3044
IUPAC Name:
3-hexylsulfanyl-1H-1,2,4-triazol-5-amine
InChI:
InChI=1S/C8H16N4S/c1-2-3-4-5-6-13-8-10-7(9)11-12-8/h2-6H2,1H3,(H3,9,10,11,12)
InChI Key:
VEDCPCDENSXQHG-UHFFFAOYSA-N
SMILES:
CCCCCCSc1nc(n[nH]1)N
Properties
Complexity:
133
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.304g/mol
Monoisotopic Mass:
200.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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