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56659-00-8 | 4-(propan-2-yl)-1H-imidazole-2-thiol
CAS No: 56659-00-8 Catalog No: AG01EBAB MDL No:MFCD23724188
Product Description
Catalog Number:
AG01EBAB
Chemical Name:
4-(propan-2-yl)-1H-imidazole-2-thiol
CAS Number:
56659-00-8
Molecular Formula:
C6H10N2S
Molecular Weight:
142.2220
MDL Number:
MFCD23724188
IUPAC Name:
4-propan-2-yl-1,3-dihydroimidazole-2-thione
InChI:
InChI=1S/C6H10N2S/c1-4(2)5-3-7-6(9)8-5/h3-4H,1-2H3,(H2,7,8,9)
InChI Key:
XHSFQGGNLKIXHK-UHFFFAOYSA-N
SMILES:
CC(c1nc([nH]c1)S)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.22g/mol
Monoisotopic Mass:
142.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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