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126271-50-9 | 1-{[(2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}ethan-1-one
CAS No: 126271-50-9 Catalog No: AG01A6I8 MDL No:MFCD26407594
Product Description
Catalog Number:
AG01A6I8
Chemical Name:
1-{[(2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}ethan-1-one
CAS Number:
126271-50-9
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD26407594
IUPAC Name:
S-[(2-phenyl-1,3-oxazol-4-yl)methyl] ethanethioate
InChI:
InChI=1S/C12H11NO2S/c1-9(14)16-8-11-7-15-12(13-11)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChI Key:
JWTRSFRVJVXWNM-UHFFFAOYSA-N
SMILES:
CC(=O)SCc1coc(n1)c1ccccc1
Properties
Complexity:
241
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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