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138428-96-3 | 2-Azetidinone, 1-(phenylmethyl)-4-(phenylthio)-
CAS No: 138428-96-3 Catalog No: AG00195B MDL No:
Product Description
Catalog Number:
AG00195B
Chemical Name:
2-Azetidinone, 1-(phenylmethyl)-4-(phenylthio)-
CAS Number:
138428-96-3
Molecular Formula:
C16H15NOS
Molecular Weight:
269.3614
IUPAC Name:
1-benzyl-4-phenylsulfanylazetidin-2-one
InChI:
InChI=1S/C16H15NOS/c18-15-11-16(19-14-9-5-2-6-10-14)17(15)12-13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChI Key:
MJURFLCWZMGRTO-UHFFFAOYSA-N
SMILES:
O=C1CC(N1Cc1ccccc1)Sc1ccccc1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.362g/mol
Monoisotopic Mass:
269.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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