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2- (Methylthio) benzaldehyde

CAT: 0024-sc-254096Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-254096Size:5 g
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CAS Number
7022-45-9

Chemical Information

2-(Methylthio)benzaldehyde
CAS Number7022-45-9
PubChem CID286443
IUPAC Name2-methylsulfanylbenzaldehyde
Molecular FormulaC8H8OS
Molecular Weight152.22
XLogP1.9
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity114
SMILES
CSC1=CC=CC=C1C=O
InChI
InChI=1S/C8H8OS/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
InChIKey
XIOBUABQJIVPCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Methylthio)benzaldehyde
CAS: 7022-45-9
CID: 286443
Formula: C8H8OS
MW: 152.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.22
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass152.02958605
Monoisotopic Mass152.02958605
Topological Polar Surface Area42.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity114
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
284901-012- (Methylthio) benzaldehyde
OR0776-014- (Methylthio) benzaldehyde
FM54704-013- (Methylthio) benzaldehyde
TRC-M330660-50G4-(Methylthio)benzaldehyde
FM365884-Methylthio benzaldehyde
PC1013662-014-Fluoro-2- (methylthio) benzaldehyde
PC1010921-012- (Methylthio) -4- (trifluoromethoxy) benzaldehyde
OR10967003-chloro-5- (methylthio) benzaldehyde
OR10960993-Methyl-5- (methylthio) benzaldehyde
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