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Phenyl Vinyl Sulfoxide

CAT: 0926-VAA45153-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-VAA45153-01Size:25 g
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CAS Number
20451-53-0
MDL Number
MFCD00002086
Molecular Formula
C8H8OS
Molecular Weight
152.21 g/mol
Controlled
No

Chemical Information

Phenyl vinyl sulphoxide
CAS Number20451-53-0
PubChem CID88544
IUPAC Nameethenylsulfinylbenzene
Molecular FormulaC8H8OS
Molecular Weight152.22
XLogP1.1
Topological Polar Surface Area36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity136
SMILES
C=CS(=O)C1=CC=CC=C1
InChI
InChI=1S/C8H8OS/c1-2-10(9)8-6-4-3-5-7-8/h2-7H,1H2
InChIKey
MZMJHXFYLRTLQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenyl vinyl sulphoxide
CAS: 20451-53-0
CID: 88544
Formula: C8H8OS
MW: 152.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight152.22
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass152.02958605
Monoisotopic Mass152.02958605
Topological Polar Surface Area36.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes