3-Ethoxy-5- (methylthio) benzaldehyde

CAT: 0127-OR1090166-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1090166-01Size:250 mg

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CAS Number

2901102-23-4

MDL Number

MFCD34758582

Purity

97%

Smiles

C1 (cc (cc (c1) SC) OCC) C=O

Chemical Information

3-Ethoxy-5-(methylthio)benZaldehyde

CAS Number	2901102-23-4
PubChem CID	171367313
IUPAC Name	3-ethoxy-5-methylsulfanylbenzaldehyde
Molecular Formula	C10H12O2S
Molecular Weight	196.27
XLogP	2.2
Topological Polar Surface Area	51.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	161

SMILES

CCOC1=CC(=CC(=C1)C=O)SC

InChI

InChI=1S/C10H12O2S/c1-3-12-9-4-8(7-11)5-10(6-9)13-2/h4-7H,3H2,1-2H3

InChIKey

VAILYYPWKQTHSC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2901102-23-4

CID: 171367313

Formula: C10H12O2S

MW: 196.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.27
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	196.05580079
Monoisotopic Mass	196.05580079
Topological Polar Surface Area	51.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	161
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1089590-01	2-Ethoxy-3- (methylthio) benzaldehyde
PC1016784	3-Ethoxy-4-fluoro-5- (methylthio) benzaldehyde
PC1024896-01	5-Ethoxy-2-fluoro-3- (methylthio) benzaldehyde
PC1018810-01	2-Ethoxy-5-fluoro-3- (methylthio) benzaldehyde
PC1016886-01	2-Ethoxy-3,4-difluoro-5- (methylthio) benzaldehyde
PC1018552-01	4-Ethoxy-3-fluoro-2- (methylthio) benzaldehyde
PC1018215-01	3-Ethoxy-2-fluoro-6- (methylthio) benzaldehyde
OR1089539-01	3-Chloro-4-ethoxy-2- (methylthio) benzaldehyde
PC1018310-01	6-Ethoxy-3-fluoro-2- (methylthio) benzaldehyde
OR1099048	3-Bromo-5- (methylthio) benzaldehyde

Catalog	Name
sc-473460	3- (Methylthio) benzaldehyde
NBA12581-01	3-Chloro-4- (methylthio) benzaldehyde
231451-01	3- (Methylthio) benzaldehyde ≥95% (NMR)
sc-357027	5-Bromo-2-[4- (methylthio) phenoxy]benzaldehyde
sc-347396	3,5-Dibromo-4-ethoxy-benzaldehyde
sc-312288	3-Allyl-5-ethoxy-4-hydroxy-benzaldehyde
sc-276079	3-Bromo-4-ethoxy-5-methoxy-benzaldehyde
sc-312281	3-Allyl-4-ethoxy-5-methoxy-benzaldehyde
sc-318661A	5-Ethoxy-2-hydroxy-benzaldehyde
sc-307891	2-Ethoxy-5- (methoxymethyl) benzaldehyde