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145508-18-5 | Butanamide, 2-[bis(methylthio)methylene]-3-oxo-N-phenyl-
CAS No: 145508-18-5 Catalog No: AG001D52 MDL No:
Product Description
Catalog Number:
AG001D52
Chemical Name:
Butanamide, 2-[bis(methylthio)methylene]-3-oxo-N-phenyl-
CAS Number:
145508-18-5
Molecular Formula:
C13H15NO2S2
Molecular Weight:
281.3937
IUPAC Name:
2-[bis(methylsulfanyl)methylidene]-3-oxo-N-phenylbutanamide
InChI:
InChI=1S/C13H15NO2S2/c1-9(15)11(13(17-2)18-3)12(16)14-10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,16)
InChI Key:
CPQVGHZPWOXSHH-UHFFFAOYSA-N
SMILES:
CSC(=C(C(=O)Nc1ccccc1)C(=O)C)SC
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.388g/mol
Monoisotopic Mass:
281.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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