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Home > Imidazoles > 1005044-09-6
1005044-09-6 | 1-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-4,5-dimethyl-1H-imidazole-2-thiol
CAS No: 1005044-09-6 Catalog No: AG019KI9 MDL No:MFCD13806374
Product Description
Catalog Number:
AG019KI9
Chemical Name:
1-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-4,5-dimethyl-1H-imidazole-2-thiol
CAS Number:
1005044-09-6
Molecular Formula:
C14H22N2S
Molecular Weight:
250.4029
MDL Number:
MFCD13806374
IUPAC Name:
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4,5-dimethyl-1H-imidazole-2-thione
InChI:
InChI=1S/C14H22N2S/c1-8-9(2)16(14(17)15-8)10(3)13-7-11-4-5-12(13)6-11/h10-13H,4-7H2,1-3H3,(H,15,17)
InChI Key:
YCZNZRUNJQNQBS-UHFFFAOYSA-N
SMILES:
Cc1nc(n(c1C)C(C1CC2CC1CC2)C)S
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.15g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.404g/mol
Monoisotopic Mass:
250.15g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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