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2- (Phenylthio) acetaldehyde

CAT: 0127-OR93484Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR93484Size:1 g
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CAS Number
66303-55-7
Purity
95%
Smiles
O=CCSC1=CC=CC=C1

Chemical Information

(Phenylsulfanyl)acetaldehyde
CAS Number66303-55-7
PubChem CID579732
IUPAC Name2-phenylsulfanylacetaldehyde
Molecular FormulaC8H8OS
Molecular Weight152.22
XLogP2.4
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
C1=CC=C(C=C1)SCC=O
InChI
InChI=1S/C8H8OS/c9-6-7-10-8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
UVDDGALZIHEYOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Phenylsulfanyl)acetaldehyde
CAS: 66303-55-7
CID: 579732
Formula: C8H8OS
MW: 152.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.22
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass152.02958605
Monoisotopic Mass152.02958605
Topological Polar Surface Area42.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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286542-01(Phenylthio) trimethylsilane
FA164736-01Acetaldehyde-13C2
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