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Home > Imidazoles > 39123-62-1
39123-62-1 | 3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CAS No: 39123-62-1 Catalog No: AG00INPI MDL No:MFCD00975531
Product Description
Catalog Number:
AG00INPI
Chemical Name:
3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
CAS Number:
39123-62-1
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD00975531
IUPAC Name:
3-(4-methoxyphenyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C10H10N2O2S/c1-14-8-4-2-7(3-5-8)12-9(13)6-11-10(12)15/h2-5H,6H2,1H3,(H,11,15)
InChI Key:
CMXIZNWHIOYYKH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1C(=S)NCC1=O
Properties
Complexity:
275
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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