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877305-15-2 | Ethanone, 1-(2,3-dihydro-3,5-dimethyl-2-thioxo-1H-imidazol-4-yl)-
CAS No: 877305-15-2 Catalog No: AG004MYL MDL No:
Product Description
Catalog Number:
AG004MYL
Chemical Name:
Ethanone, 1-(2,3-dihydro-3,5-dimethyl-2-thioxo-1H-imidazol-4-yl)-
CAS Number:
877305-15-2
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
IUPAC Name:
1-(3,5-dimethyl-2-sulfanylidene-1H-imidazol-4-yl)ethanone
InChI:
InChI=1S/C7H10N2OS/c1-4-6(5(2)10)9(3)7(11)8-4/h1-3H3,(H,8,11)
InChI Key:
QHAQVRMIDMBRJO-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)[nH]c(=S)n1C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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