1- (2- (methylthio) phenyl) ethanone

CAT: 0127-OR1096933Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1096933Size:1 g

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CAS Number

1441-97-0

MDL Number

MFCD11553501

Purity

97%

Smiles

C1 (c (cccc1) SC) C (=O) C

Chemical Information

1-(2-(Methylsulfanyl)phenyl)ethan-1-one

CAS Number	1441-97-0
PubChem CID	10888285
IUPAC Name	1-(2-methylsulfanylphenyl)ethanone
Molecular Formula	C9H10OS
Molecular Weight	166.24
XLogP	2
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

CC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C9H10OS/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3

InChIKey

BWAPAQBFRRLPCG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1441-97-0

CID: 10888285

Formula: C9H10OS

MW: 166.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.24
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	166.04523611
Monoisotopic Mass	166.04523611
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
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
OR1099167	1- (3- (methylthio) phenyl) ethanone
OR1086505-01	1- (2-methoxy-3- (methylthio) phenyl) ethanone
OR1088683-01	1- (4-methyl-2- (methylthio) phenyl) ethanone
OR1100625-01	2-Cyclohexyl-1-[4- (methylthio) phenyl]ethanone
OR1086734-01	1- (5-methyl-2- (methylthio) phenyl) ethanone
OR1047155-01	1- (2-Amino-4- (methylthio) phenyl) ethanone
PC1019968-01	1- (2-fluoro-4- (methylthio) phenyl) ethanone
PC1023757-01	1- (2-Fluoro-3- (methylthio) phenyl) ethanone
OR1080968-01	1- (2-methyl-5- (methylthio) phenyl) ethanone
OR1096470-01	2-Methoxy-1-[4- (methylthio) phenyl]ethanone

Catalog	Name
sc-341686A	2-chloro-1-[4- (methylthio) phenyl]ethanone
266172-01	2-Bromo-1- (4- (methylthio) phenyl) ethanone
GTR19252034-01	Ethanone, 1-[4-methoxy-3-[ (methylthio) methyl]phenyl]-
TRC-B264880-1G	2-Bromo-1-[2-chloro-5-(methylthio)phenyl]ethanone
229927-01	2-Bromo-1- (4- (methylthio) phenyl) ethanone ≥97% (HPLC)
sc-341710A	2-chloro-1-{2,5-dimethyl-1-[4- (methylthio) phenyl]-1H-pyrrol-3-yl}ethanone
sc-341708	2-chloro-1-{2,5-dimethyl-1-[3- (methylthio) phenyl]-1H-pyrrol-3-yl}ethanone
RG-P022594-01	(4- (Methylthio) Phenyl) Methanol
sc-226424	4- (Methylthio) phenyl isocyanate
sc-280401A	4- (Methylthio) phenyl isothiocyanate