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852916-57-5 | 1-cyclopentyl-4,5-dimethyl-1H-imidazole-2-thiol
CAS No: 852916-57-5 Catalog No: AG019O8K MDL No:MFCD06655666
Product Description
Catalog Number:
AG019O8K
Chemical Name:
1-cyclopentyl-4,5-dimethyl-1H-imidazole-2-thiol
CAS Number:
852916-57-5
Molecular Formula:
C10H16N2S
Molecular Weight:
196.3124
MDL Number:
MFCD06655666
IUPAC Name:
3-cyclopentyl-4,5-dimethyl-1H-imidazole-2-thione
InChI:
InChI=1S/C10H16N2S/c1-7-8(2)12(10(13)11-7)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,11,13)
InChI Key:
MDTFIYLCTDKVBM-UHFFFAOYSA-N
SMILES:
Cc1nc(n(c1C)C1CCCC1)S
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.103g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.312g/mol
Monoisotopic Mass:
196.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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