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Home > Imidazoles > 1004643-56-4
1004643-56-4 | 3-(1-ETHYL-1H-PYRAZOL-4-YLMETHYL)-2-THIOXO-IMIDAZOLIDIN-4-ONE
CAS No: 1004643-56-4 Catalog No: AG01ANYK MDL No:MFCD04970026
Product Description
Catalog Number:
AG01ANYK
Chemical Name:
3-(1-ETHYL-1H-PYRAZOL-4-YLMETHYL)-2-THIOXO-IMIDAZOLIDIN-4-ONE
CAS Number:
1004643-56-4
Molecular Formula:
C9H12N4OS
Molecular Weight:
224.2828
MDL Number:
MFCD04970026
IUPAC Name:
3-[(1-ethylpyrazol-4-yl)methyl]-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C9H12N4OS/c1-2-12-5-7(3-11-12)6-13-8(14)4-10-9(13)15/h3,5H,2,4,6H2,1H3,(H,10,15)
InChI Key:
IJFBPQLFBMRVHJ-UHFFFAOYSA-N
SMILES:
CCn1ncc(c1)CN1C(=S)NCC1=O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.282g/mol
Monoisotopic Mass:
224.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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