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Home > Imidazoles > 10567-81-4
10567-81-4 | 4-Imidazolidinemethanesulfonic acid, 5-oxo-1-phenyl-2-thioxo-
CAS No: 10567-81-4 Catalog No: AG007DLM MDL No:
Product Description
Catalog Number:
AG007DLM
Chemical Name:
4-Imidazolidinemethanesulfonic acid, 5-oxo-1-phenyl-2-thioxo-
CAS Number:
10567-81-4
Molecular Formula:
C10H10N2O4S2
Molecular Weight:
286.3274
IUPAC Name:
(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)methanesulfonic acid
InChI:
InChI=1S/C10H10N2O4S2/c13-9-8(6-18(14,15)16)11-10(17)12(9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,17)(H,14,15,16)
InChI Key:
MQYYMDOMIUCPDK-UHFFFAOYSA-N
SMILES:
S=C1NC(C(=O)N1c1ccccc1)CS(=O)(=O)O
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.32g/mol
Monoisotopic Mass:
286.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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