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88357-09-9 | 2-Propanone, 1-[4-[[2-(phenylthio)ethyl]thio]phenyl]-
CAS No: 88357-09-9 Catalog No: AG0046HL MDL No:
Product Description
Catalog Number:
AG0046HL
Chemical Name:
2-Propanone, 1-[4-[[2-(phenylthio)ethyl]thio]phenyl]-
CAS Number:
88357-09-9
Molecular Formula:
C17H18OS2
Molecular Weight:
302.4542
IUPAC Name:
1-[4-(2-phenylsulfanylethylsulfanyl)phenyl]propan-2-one
InChI:
InChI=1S/C17H18OS2/c1-14(18)13-15-7-9-17(10-8-15)20-12-11-19-16-5-3-2-4-6-16/h2-10H,11-13H2,1H3
InChI Key:
QVJUSXJVAMQOLK-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(cc1)SCCSc1ccccc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.45g/mol
Monoisotopic Mass:
302.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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