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84137-77-9 | 2-Propanol, 1-phenoxy-3-(phenylthio)-
CAS No: 84137-77-9 Catalog No: AG004SHO MDL No:
Product Description
Catalog Number:
AG004SHO
Chemical Name:
2-Propanol, 1-phenoxy-3-(phenylthio)-
CAS Number:
84137-77-9
Molecular Formula:
C15H16O2S
Molecular Weight:
260.3513
IUPAC Name:
1-phenoxy-3-phenylsulfanylpropan-2-ol
InChI:
InChI=1S/C15H16O2S/c16-13(11-17-14-7-3-1-4-8-14)12-18-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2
InChI Key:
JPEZAFCTNVYSDZ-UHFFFAOYSA-N
SMILES:
OC(CSc1ccccc1)COc1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.087g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.351g/mol
Monoisotopic Mass:
260.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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