3-methoxy-2- (methylthio) benzaldehyde

CAT: 0127-OR1081496-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1081496-01Size:250 mg

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CAS Number

124639-32-3

MDL Number

MFCD18904972

Purity

97%

Smiles

C1 (cccc (c1SC) OC) C=O

Chemical Information

3-Methoxy-2-(methylthio)benzaldehyde

CAS Number	124639-32-3
PubChem CID	14361747
IUPAC Name	3-methoxy-2-methylsulfanylbenzaldehyde
Molecular Formula	C9H10O2S
Molecular Weight	182.24
XLogP	1.7
Topological Polar Surface Area	51.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	149

SMILES

COC1=CC=CC(=C1SC)C=O

InChI

InChI=1S/C9H10O2S/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3

InChIKey

HJNTZTBIYBUPDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 124639-32-3

CID: 14361747

Formula: C9H10O2S

MW: 182.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.24
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	182.04015073
Monoisotopic Mass	182.04015073
Topological Polar Surface Area	51.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149
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
OR1098438-01	2-Methoxy-3- (methylthio) benzaldehyde
OR1093439	2-Methoxy-5- (methylthio) benzaldehyde
OR1080234-01	5-Methoxy-2- (methylthio) benzaldehyde
OR1093812	4-Methoxy-3- (methylthio) benzaldehyde
OR1098449	3-Methoxy-4- (methylthio) benzaldehyde
OR1084407-01	2-methoxy-4- (methylthio) benzaldehyde
OR1082064-01	3-Methoxy-5- (methylthio) benzaldehyde
PC1014657-01	2-Fluoro-5-methoxy-3- (methylthio) benzaldehyde
PC1010901-01	2-Fluoro-4-methoxy-3- (methylthio) benzaldehyde
PC1017748-01	2-Fluoro-3-methoxy-5- (methylthio) benzaldehyde

Catalog	Name
284901-01	2- (Methylthio) benzaldehyde
sc-473460	3- (Methylthio) benzaldehyde
PBC08481-01	2-Fluoro-4- (methylthio) benzaldehyde
NBA12581-01	3-Chloro-4- (methylthio) benzaldehyde
231451-01	3- (Methylthio) benzaldehyde ≥95% (NMR)
JH918924	2,6-Dichloro-4- (methylthio) benzaldehyde
sc-357027	5-Bromo-2-[4- (methylthio) phenoxy]benzaldehyde
sc-307829	2-Cyclopentyloxy-3-methoxy-benzaldehyde
sc-391852	3-[ (2-Methoxyethoxy) methoxy]benzaldehyde
FH 1G 139H-01	2-[ (3-fluorophenyl) methoxy]benzaldehyde