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Home > Indoles and Oxindole > 379726-40-6
379726-40-6 | 4-hexyl-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 379726-40-6 Catalog No: AG019HB8 MDL No:MFCD03152458
Product Description
Catalog Number:
AG019HB8
Chemical Name:
4-hexyl-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
379726-40-6
Molecular Formula:
C16H20N4S
Molecular Weight:
300.4218
MDL Number:
MFCD03152458
IUPAC Name:
4-hexyl-3-(1H-indol-3-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C16H20N4S/c1-2-3-4-7-10-20-15(18-19-16(20)21)13-11-17-14-9-6-5-8-12(13)14/h5-6,8-9,11,17H,2-4,7,10H2,1H3,(H,19,21)
InChI Key:
ZNHOXAUHWINAIP-UHFFFAOYSA-N
SMILES:
CCCCCCn1c(S)nnc1c1c[nH]c2c1cccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.424g/mol
Monoisotopic Mass:
300.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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