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40994-94-3 | 1-(5-methyl-2-phenyl-4-thioxo-4,5-dihydro-1,3-oxazol-5-yl)ethanone
CAS No: 40994-94-3 Catalog No: AG0073KX MDL No:
Product Description
Catalog Number:
AG0073KX
Chemical Name:
1-(5-methyl-2-phenyl-4-thioxo-4,5-dihydro-1,3-oxazol-5-yl)ethanone
CAS Number:
40994-94-3
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
1-(5-methyl-2-phenyl-4-sulfanylidene-1,3-oxazol-5-yl)ethanone
InChI:
InChI=1S/C12H11NO2S/c1-8(14)12(2)11(16)13-10(15-12)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
UHVUNNZGAVUMKD-UHFFFAOYSA-N
SMILES:
CC(=O)C1(C)OC(=NC1=S)c1ccccc1
NSC Number:
131322
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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