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114743-33-8 | 3-Buten-2-one, 4-(acetyloxy)-1-(phenylmethoxy)-3-(phenylthio)-, (3Z)-
CAS No: 114743-33-8 Catalog No: AG000F54 MDL No:
Product Description
Catalog Number:
AG000F54
Chemical Name:
3-Buten-2-one, 4-(acetyloxy)-1-(phenylmethoxy)-3-(phenylthio)-, (3Z)-
CAS Number:
114743-33-8
Molecular Formula:
C19H18O4S
Molecular Weight:
342.4088
IUPAC Name:
(3-oxo-4-phenylmethoxy-2-phenylsulfanylbut-1-enyl) acetate
InChI:
InChI=1S/C19H18O4S/c1-15(20)23-14-19(24-17-10-6-3-7-11-17)18(21)13-22-12-16-8-4-2-5-9-16/h2-11,14H,12-13H2,1H3
InChI Key:
SHQWAAWBFSCGKE-UHFFFAOYSA-N
SMILES:
CC(=O)O/C=C(/C(=O)COCc1ccccc1)\Sc1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.409g/mol
Monoisotopic Mass:
342.093g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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