4- (Methylsulfinyl) Benzaldehyde

CAT: 1299-RG-M082564-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-M082564-01Size:10 mg

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CAS Number

37794-15-3

Synonyms

4- (methylsulfinyl) benzaldehyde

Molecular Formula

C8H8O2S

Molecular Weight

168.21

Product Name Synonym

4- (methylsulfinyl) benzaldehyde

Chemical Information

p-(Methylsulphinyl)benzaldehyde

CAS Number	37794-15-3
PubChem CID	3015943
IUPAC Name	4-methylsulfinylbenzaldehyde
Molecular Formula	C8H8O2S
Molecular Weight	168.21
XLogP	0.5
Topological Polar Surface Area	53.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	159

SMILES

CS(=O)C1=CC=C(C=C1)C=O

InChI

InChI=1S/C8H8O2S/c1-11(10)8-4-2-7(6-9)3-5-8/h2-6H,1H3

InChIKey

NZJSGBXNOJOCJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37794-15-3

CID: 3015943

Formula: C8H8O2S

MW: 168.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.21
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	168.02450067
Monoisotopic Mass	168.02450067
Topological Polar Surface Area	53.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	159
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-M082555-01	4- (Methylsulfonyl) Benzaldehyde
RG-E140751-01	4- (methylsulfinyl) benzoic acid
RG-M050809-01	1- (4- (Methylsulfinyl) Phenyl) Ethanone
RG-T180967-01	4- (Trifluoromethyl) Benzaldehyde
RG-A261636-01	4- (Dimethylamino) Benzaldehyde
RG-A261881-01	4- (Methylthio) Benzaldehyde
RG-H250413-01	2-Hydroxy-4- (Methylsulfinyl) Butanoic Acid
RG-E242651-01	4,6-dimethyl-2- (methylsulfinyl) pyrimidine
RG-E140949-01	4- (1-methylcyclopropyl) benzaldehyde
RG-E140906-01	2-chloro-6- (4-methoxyphenoxy) benzaldehyde

Catalog	Name
OR1073234-01	(Methylsulfinyl) ethane
TRC-M467290-50MG	3-(Methylsulfinyl)propanamide
OR1066595-01	(S) - (Methylsulfinyl) benzene
OR1040739-01	2- (Methylsulfinyl) naphthalene
OR78591-01	4- (Methylsulfinyl) aniline
OR1066529-01	(R) - (Methylsulfinyl) benzene
OR83414-01	2- (Methylsulfinyl) pyridine
OR95921-01	1- (Methylsulfinyl) dodecane
OR1044501-01	2- (Methylsulfinyl) pyrimidine
GTR19208064	11- (Methylsulfinyl) undecylglucosinolate