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113699-54-0 | 4-Imidazolidinone, 1-(1-naphthalenylsulfonyl)-2-thioxo-
CAS No: 113699-54-0 Catalog No: AG0009CQ MDL No:
Product Description
Catalog Number:
AG0009CQ
Chemical Name:
4-Imidazolidinone, 1-(1-naphthalenylsulfonyl)-2-thioxo-
CAS Number:
113699-54-0
Molecular Formula:
C13H10N2O3S2
Molecular Weight:
306.3601
IUPAC Name:
1-naphthalen-1-ylsulfonyl-2-sulfanylideneimidazolidin-4-one
InChI:
InChI=1S/C13H10N2O3S2/c16-12-8-15(13(19)14-12)20(17,18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,16,19)
InChI Key:
LPSPZMPOYCAXAQ-UHFFFAOYSA-N
SMILES:
O=C1NC(=S)N(C1)S(=O)(=O)c1cccc2c1cccc2
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.013g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.354g/mol
Monoisotopic Mass:
306.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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