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Home > Imidazoles > 877-49-6
877-49-6 | 4-Imidazolidinone,3-methyl-5-[2-(methylthio)ethyl]-2-thioxo-
CAS No: 877-49-6 Catalog No: AG004FLW MDL No:
Product Description
Catalog Number:
AG004FLW
Chemical Name:
4-Imidazolidinone,3-methyl-5-[2-(methylthio)ethyl]-2-thioxo-
CAS Number:
877-49-6
Molecular Formula:
C9H17N3O3S2
Molecular Weight:
279.3796
IUPAC Name:
3-methyl-5-(2-methylsulfanylethyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C7H12N2OS2/c1-9-6(10)5(3-4-12-2)8-7(9)11/h5H,3-4H2,1-2H3,(H,8,11)
InChI Key:
GQSMFARWFJRERX-UHFFFAOYSA-N
SMILES:
O=C1NC(=S)N(C1)C.CSCCC(C(=O)O)N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.039g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.306g/mol
Monoisotopic Mass:
204.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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