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72799-35-0 | 1-(3-methoxyphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS No: 72799-35-0 Catalog No: AG019O49 MDL No:MFCD06655454
Product Description
Catalog Number:
AG019O49
Chemical Name:
1-(3-methoxyphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
CAS Number:
72799-35-0
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD06655454
IUPAC Name:
3-(3-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C10H10N2O2S/c1-14-8-4-2-3-7(5-8)12-9(13)6-11-10(12)15/h2-5H,6H2,1H3,(H,11,15)
InChI Key:
HCIQEPUGTBWSDH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)N1C(=NCC1=O)S
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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