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89363-81-5 | Benzene, 1,4-dimethoxy-2-(phenylthio)-
CAS No: 89363-81-5 Catalog No: AG003X55 MDL No:
Product Description
Catalog Number:
AG003X55
Chemical Name:
Benzene, 1,4-dimethoxy-2-(phenylthio)-
CAS Number:
89363-81-5
Molecular Formula:
C14H14O2S
Molecular Weight:
246.3248
IUPAC Name:
1,4-dimethoxy-2-phenylsulfanylbenzene
InChI:
InChI=1S/C14H14O2S/c1-15-11-8-9-13(16-2)14(10-11)17-12-6-4-3-5-7-12/h3-10H,1-2H3
InChI Key:
WKFNQSFSKDFFOJ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)Sc1ccccc1)OC
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.324g/mol
Monoisotopic Mass:
246.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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