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113362-44-0 | 4-Imidazolidinone, 3-(3-oxobutyl)-2-thioxo-
CAS No: 113362-44-0 Catalog No: AG007SKP MDL No:
Product Description
Catalog Number:
AG007SKP
Chemical Name:
4-Imidazolidinone, 3-(3-oxobutyl)-2-thioxo-
CAS Number:
113362-44-0
Molecular Formula:
C7H10N2O2S
Molecular Weight:
186.2315
IUPAC Name:
3-(3-oxobutyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C7H10N2O2S/c1-5(10)2-3-9-6(11)4-8-7(9)12/h2-4H2,1H3,(H,8,12)
InChI Key:
IOFGKZRHIYYKHO-UHFFFAOYSA-N
SMILES:
CC(=O)CCN1C(=S)NCC1=O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.229g/mol
Monoisotopic Mass:
186.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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