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Home > Imidazoles > 1076-72-8
1076-72-8 | 4-Imidazolidinone,3-methyl-5-(2-methylpropyl)-2-thioxo-
CAS No: 1076-72-8 Catalog No: AG007DWM MDL No:
Product Description
Catalog Number:
AG007DWM
Chemical Name:
4-Imidazolidinone,3-methyl-5-(2-methylpropyl)-2-thioxo-
CAS Number:
1076-72-8
Molecular Formula:
C10H19N3O3S
Molecular Weight:
261.3412
IUPAC Name:
3-methyl-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C8H14N2OS/c1-5(2)4-6-7(11)10(3)8(12)9-6/h5-6H,4H2,1-3H3,(H,9,12)
InChI Key:
HUATVCMZVINTLH-UHFFFAOYSA-N
SMILES:
O=C1NC(=S)N(C1)C.CC(CC(C(=O)O)N)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.083g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.273g/mol
Monoisotopic Mass:
186.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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