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Home > Imidazoles > 1334149-39-1
1334149-39-1 | 1-cyclopropyl-5-(propan-2-yl)-1H-imidazole-2-thiol
CAS No: 1334149-39-1 Catalog No: AG01AK5G MDL No:MFCD19982434
Product Description
Catalog Number:
AG01AK5G
Chemical Name:
1-cyclopropyl-5-(propan-2-yl)-1H-imidazole-2-thiol
CAS Number:
1334149-39-1
Molecular Formula:
C9H14N2S
Molecular Weight:
182.2859
MDL Number:
MFCD19982434
IUPAC Name:
3-cyclopropyl-4-propan-2-yl-1H-imidazole-2-thione
InChI:
InChI=1S/C9H14N2S/c1-6(2)8-5-10-9(12)11(8)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,10,12)
InChI Key:
CKEBNIBKCRIKNF-UHFFFAOYSA-N
SMILES:
CC(c1cnc(n1C1CC1)S)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.088g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.285g/mol
Monoisotopic Mass:
182.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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