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89171-61-9 | Furan, 3-[3-(phenylthio)propyl]-
CAS No: 89171-61-9 Catalog No: AG003WLQ MDL No:
Product Description
Catalog Number:
AG003WLQ
Chemical Name:
Furan, 3-[3-(phenylthio)propyl]-
CAS Number:
89171-61-9
Molecular Formula:
C13H14OS
Molecular Weight:
218.3147
IUPAC Name:
3-(3-phenylsulfanylpropyl)furan
InChI:
InChI=1S/C13H14OS/c1-2-6-13(7-3-1)15-10-4-5-12-8-9-14-11-12/h1-3,6-9,11H,4-5,10H2
InChI Key:
AVZFGNHJQQXHCN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SCCCc1cocc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.314g/mol
Monoisotopic Mass:
218.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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