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Home > Imidazoles > 104809-14-5
104809-14-5 | 4-Imidazolidinone,5-butyl-3-methyl-2-thioxo-
CAS No: 104809-14-5 Catalog No: AG0085KI MDL No:
Product Description
Catalog Number:
AG0085KI
Chemical Name:
4-Imidazolidinone,5-butyl-3-methyl-2-thioxo-
CAS Number:
104809-14-5
Molecular Formula:
C10H19N3O3S
Molecular Weight:
261.3412
IUPAC Name:
2-aminohexanoic acid;1-methyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C6H13NO2.C4H6N2OS/c1-2-3-4-5(7)6(8)9;1-6-2-3(7)5-4(6)8/h5H,2-4,7H2,1H3,(H,8,9);2H2,1H3,(H,5,7,8)
InChI Key:
HEUJCARBOYABRW-UHFFFAOYSA-N
SMILES:
O=C1NC(=S)N(C1)C.CCCCC(C(=O)O)N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.34g/mol
Monoisotopic Mass:
261.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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