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827044-68-8 | Phenol, 2-(S-phenylsulfinimidoyl)-
CAS No: 827044-68-8 Catalog No: AG004VUT MDL No:
Product Description
Catalog Number:
AG004VUT
Chemical Name:
Phenol, 2-(S-phenylsulfinimidoyl)-
CAS Number:
827044-68-8
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
IUPAC Name:
2-(phenylsulfinimidoyl)phenol
InChI:
InChI=1S/C12H11NOS/c13-15(10-6-2-1-3-7-10)12-9-5-4-8-11(12)14/h1-9,13-14H
InChI Key:
AQBFLEYEBOCMND-UHFFFAOYSA-N
SMILES:
Oc1ccccc1S(=N)c1ccccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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