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86503-13-1 | 3-(3-dimethylaminopropyl)-5-(2-methylpropyl)-2-sulfanylidene-imidazolidin-4-one
CAS No: 86503-13-1 Catalog No: AG004M0U MDL No:
Product Description
Catalog Number:
AG004M0U
Chemical Name:
3-(3-dimethylaminopropyl)-5-(2-methylpropyl)-2-sulfanylidene-imidazolidin-4-one
CAS Number:
86503-13-1
Molecular Formula:
C12H23N3OS
Molecular Weight:
257.3955
IUPAC Name:
3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C12H23N3OS/c1-9(2)8-10-11(16)15(12(17)13-10)7-5-6-14(3)4/h9-10H,5-8H2,1-4H3,(H,13,17)
InChI Key:
MOYHQXSNWRSCJW-UHFFFAOYSA-N
SMILES:
CC(CC1NC(=S)N(C1=O)CCCN(C)C)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.156g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.396g/mol
Monoisotopic Mass:
257.156g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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