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Home > Imidazoles > 119393-94-1
119393-94-1 | 2H-Imidazole-2-thione, 1-butyl-1,3-dihydro-3-methyl-
CAS No: 119393-94-1 Catalog No: AG000ION MDL No:
Product Description
Catalog Number:
AG000ION
Chemical Name:
2H-Imidazole-2-thione, 1-butyl-1,3-dihydro-3-methyl-
CAS Number:
119393-94-1
Molecular Formula:
C8H14N2S
Molecular Weight:
170.2752
IUPAC Name:
1-butyl-3-methylimidazole-2-thione
InChI:
InChI=1S/C8H14N2S/c1-3-4-5-10-7-6-9(2)8(10)11/h6-7H,3-5H2,1-2H3
InChI Key:
SFFDSIGHGYILMM-UHFFFAOYSA-N
SMILES:
CCCCn1ccn(c1=S)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.088g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.274g/mol
Monoisotopic Mass:
170.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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