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830321-06-7 | 1H-Imidazole, 4,5-dihydro-1-methyl-2-[(1E)-1-octenylthio]-
CAS No: 830321-06-7 Catalog No: AG004YBA MDL No:
Product Description
Catalog Number:
AG004YBA
Chemical Name:
1H-Imidazole, 4,5-dihydro-1-methyl-2-[(1E)-1-octenylthio]-
CAS Number:
830321-06-7
Molecular Formula:
C12H22N2S
Molecular Weight:
226.3815
IUPAC Name:
1-methyl-2-oct-1-enylsulfanyl-4,5-dihydroimidazole
InChI:
InChI=1S/C12H22N2S/c1-3-4-5-6-7-8-11-15-12-13-9-10-14(12)2/h8,11H,3-7,9-10H2,1-2H3
InChI Key:
GBDNJWPQAMPYDP-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C/SC1=NCCN1C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.15g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.382g/mol
Monoisotopic Mass:
226.15g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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