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Home > Imidazoles > 852400-17-0
852400-17-0 | 1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No: 852400-17-0 Catalog No: AG019O32 MDL No:MFCD06655388
Product Description
Catalog Number:
AG019O32
Chemical Name:
1-[4-(propan-2-yl)phenyl]-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
852400-17-0
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
MDL Number:
MFCD06655388
IUPAC Name:
3-(4-propan-2-ylphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C12H14N2OS/c1-8(2)9-3-5-10(6-4-9)14-11(15)7-13-12(14)16/h3-6,8H,7H2,1-2H3,(H,13,16)
InChI Key:
FCIQDMKZTPMMCK-UHFFFAOYSA-N
SMILES:
O=C1CN=C(N1c1ccc(cc1)C(C)C)S
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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