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4- (Phenylthio) Benzaldehyde

CAT: 0127-OR1011192-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1011192-01Size:1 g
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CAS Number
1208-88-4
MDL Number
MFCD00059742
Purity
99%
Smiles
O=Cc1ccc(Sc2ccccc2)cc1

Chemical Information

Benzaldehyde, p-phenylthio-
CAS Number1208-88-4
PubChem CID71023
IUPAC Name4-phenylsulfanylbenzaldehyde
Molecular FormulaC13H10OS
Molecular Weight214.28
XLogP3.5
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity191
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H10OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H
InChIKey
VDNBWBPUFMZCEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzaldehyde, p-phenylthio-
CAS: 1208-88-4
CID: 71023
Formula: C13H10OS
MW: 214.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.28
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass214.04523611
Monoisotopic Mass214.04523611
Topological Polar Surface Area42.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity191
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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Alternative Products

CatalogName
288153-012- (Phenylthio) Benzaldehyde
sc-2626945-Nitro-2- (phenylthio) benzaldehyde
229605-012- (Phenylthio) Benzaldehyde ≥97% (HPLC)
sc-253266(Phenylthio) acetonitrile
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286542-01(Phenylthio) trimethylsilane
468311-01Tris (phenylthio) methane
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