5-Fluoro-2- (methylthio) benzaldehyde

CAT: 0127-PC1023898Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

160503-79-7

MDL Number

MFCD18887990

Purity

97%

Smiles

C1 (ccc (c (c1) C=O) SC) F

Chemical Information

5-Fluoro-2-(methylthio)benzaldehyde

CAS Number	160503-79-7
PubChem CID	57076840
IUPAC Name	5-fluoro-2-methylsulfanylbenzaldehyde
Molecular Formula	C8H7FOS
Molecular Weight	170.21
XLogP	2
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	140

SMILES

CSC1=C(C=C(C=C1)F)C=O

InChI

InChI=1S/C8H7FOS/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3

InChIKey

XOVNDEPQWXDIPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 160503-79-7

CID: 57076840

Formula: C8H7FOS

MW: 170.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.21
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	170.02016418
Monoisotopic Mass	170.02016418
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	140
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
PC1004298-01	2-Fluoro-5- (methylthio) benzaldehyde
PC1023481	3-Fluoro-5- (methylthio) benzaldehyde
PC1014702-01	5-Fluoro-2-methyl-3- (methylthio) benzaldehyde
PC1014060-01	5-Fluoro-2-methoxy-3- (methylthio) benzaldehyde
PC1019279-01	2-Fluoro-5- (methylthio) -3- (trifluoromethyl) benzaldehyde
PC1017850-01	2-Fluoro-5- (methylthio) -4- (trifluoromethyl) benzaldehyde
PC1017357-01	3-Chloro-2-fluoro-5- (methylthio) benzaldehyde
PC1024896-01	5-Ethoxy-2-fluoro-3- (methylthio) benzaldehyde
PC1024875-01	5- (Benzyloxy) -2-fluoro-3- (methylthio) benzaldehyde
PC1014657-01	2-Fluoro-5-methoxy-3- (methylthio) benzaldehyde

Catalog	Name
PBC08481-01	2-Fluoro-4- (methylthio) benzaldehyde
284901-01	2- (Methylthio) benzaldehyde
sc-357027	5-Bromo-2-[4- (methylthio) phenoxy]benzaldehyde
JH918924	2,6-Dichloro-4- (methylthio) benzaldehyde
abx181239-01	Benzaldehyde,2-fluoro-5-iodo-
STB46081	5-Fluoro-2- (trifluoromethoxy) benzaldehyde
276039-01	5-Fluoro-2-hydroxy benzaldehyde
sc-262600	5-Fluoro-2- (trifluoromethyl) benzaldehyde
sc-225380	2-Fluoro-5- (trifluoromethyl) benzaldehyde
sc-318744	5-Fluoro-2- (methylsulfonyl) benzaldehyde