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14065-22-6 | Benzene, 1-methoxy-2-(phenylthio)-
CAS No: 14065-22-6 Catalog No: AG001CNG MDL No:
Product Description
Catalog Number:
AG001CNG
Chemical Name:
Benzene, 1-methoxy-2-(phenylthio)-
CAS Number:
14065-22-6
Molecular Formula:
C13H12OS
Molecular Weight:
216.2988
IUPAC Name:
1-methoxy-2-phenylsulfanylbenzene
InChI:
InChI=1S/C13H12OS/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10H,1H3
InChI Key:
PLMKPWXDMAOTPF-UHFFFAOYSA-N
SMILES:
COc1ccccc1Sc1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.298g/mol
Monoisotopic Mass:
216.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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