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64557-73-9 | 4-(pyridin-4-ylsulfanyl)phenol
CAS No: 64557-73-9 Catalog No: AG01A8KY MDL No:MFCD12824685
Product Description
Catalog Number:
AG01A8KY
Chemical Name:
4-(pyridin-4-ylsulfanyl)phenol
CAS Number:
64557-73-9
Molecular Formula:
C11H9NOS
Molecular Weight:
203.2603
MDL Number:
MFCD12824685
IUPAC Name:
4-pyridin-4-ylsulfanylphenol
InChI:
InChI=1S/C11H9NOS/c13-9-1-3-10(4-2-9)14-11-5-7-12-8-6-11/h1-8,13H
InChI Key:
LDMGNZJMTUYLQH-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Sc1ccncc1
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.259g/mol
Monoisotopic Mass:
203.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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