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33556-40-0 | Ethanethioic acid, S-(4,5-dihydro-4-methyl-5-oxo-2-phenyl-4-oxazolyl) ester
CAS No: 33556-40-0 Catalog No: AG00CTMB MDL No:
Product Description
Catalog Number:
AG00CTMB
Chemical Name:
Ethanethioic acid, S-(4,5-dihydro-4-methyl-5-oxo-2-phenyl-4-oxazolyl) ester
CAS Number:
33556-40-0
IUPAC Name:
S-(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl) ethanethioate
InChI:
InChI=1S/C12H11NO3S/c1-8(14)17-12(2)11(15)16-10(13-12)9-6-4-3-5-7-9/h3-7H,1-2H3
InChI Key:
AHGJYJGKRKFPTG-UHFFFAOYSA-N
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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