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Home > Imidazoles > 63905-45-3
63905-45-3 | 1-Isobutyl-1H-imidazole-2-thiol
CAS No: 63905-45-3 Catalog No: AG00EZ69 MDL No:
Product Description
Catalog Number:
AG00EZ69
Chemical Name:
1-Isobutyl-1H-imidazole-2-thiol
CAS Number:
63905-45-3
IUPAC Name:
3-(2-methylpropyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C7H12N2S/c1-6(2)5-9-4-3-8-7(9)10/h3-4,6H,5H2,1-2H3,(H,8,10)
InChI Key:
IXAMDLPSWOZYRE-UHFFFAOYSA-N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.247g/mol
Monoisotopic Mass:
156.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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