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Home > Imidazoles > 929975-57-5
929975-57-5 | 1-cyclopropyl-4,5-dimethyl-1H-imidazole-2-thiol
CAS No: 929975-57-5 Catalog No: AG019KH5 MDL No:MFCD09040456
Product Description
Catalog Number:
AG019KH5
Chemical Name:
1-cyclopropyl-4,5-dimethyl-1H-imidazole-2-thiol
CAS Number:
929975-57-5
Molecular Formula:
C8H12N2S
Molecular Weight:
168.2593
MDL Number:
MFCD09040456
IUPAC Name:
3-cyclopropyl-4,5-dimethyl-1H-imidazole-2-thione
InChI:
InChI=1S/C8H12N2S/c1-5-6(2)10(7-3-4-7)8(11)9-5/h7H,3-4H2,1-2H3,(H,9,11)
InChI Key:
QOFPLXXNKMHEBV-UHFFFAOYSA-N
SMILES:
Cc1nc(n(c1C)C1CC1)S
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.258g/mol
Monoisotopic Mass:
168.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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