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Home > Imidazoles > 89250-96-4
89250-96-4 | 1H-Imidazole, 1-acetyl-4,5-dihydro-4-methyl-2-(methylthio)-
CAS No: 89250-96-4 Catalog No: AG004304 MDL No:
Product Description
Catalog Number:
AG004304
Chemical Name:
1H-Imidazole, 1-acetyl-4,5-dihydro-4-methyl-2-(methylthio)-
CAS Number:
89250-96-4
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
IUPAC Name:
1-(4-methyl-2-methylsulfanyl-4,5-dihydroimidazol-1-yl)ethanone
InChI:
InChI=1S/C7H12N2OS/c1-5-4-9(6(2)10)7(8-5)11-3/h5H,4H2,1-3H3
InChI Key:
VFBURTNOVVGHMX-UHFFFAOYSA-N
SMILES:
CSC1=NC(CN1C(=O)C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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