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Home > Imidazoles > 847499-74-5
847499-74-5 | 1H-Imidazolium, 1-hexyl-3-methyl-, thiocyanate
CAS No: 847499-74-5 Catalog No: AG004YAR MDL No:
Product Description
Catalog Number:
AG004YAR
Chemical Name:
1H-Imidazolium, 1-hexyl-3-methyl-, thiocyanate
CAS Number:
847499-74-5
Molecular Formula:
C11H21N3S
Molecular Weight:
227.3695
IUPAC Name:
1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium;thiocyanate
InChI:
InChI=1S/C10H20N2.CHNS/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1-3/h8-9H,3-7,10H2,1-2H3;3H
InChI Key:
RNQNOMSGDMTICP-UHFFFAOYSA-N
SMILES:
CCCCCC[NH+]1C=CN(C1)C.[S-]C#N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.146g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.37g/mol
Monoisotopic Mass:
227.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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