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4′-(Methylthio)acetophenone - 97%, high purity , CAS No.1778-09-2

COA

Grade & Purity:

≥97%

Cas Number: 1778-09-2
Molecular Weight: 166.24
Beilstein Registry Number: 8(4)356
EC Number: 217-213-1
MDL number: MFCD00039835
PubChem CID: 74501
PubChem SID: 488184932

In stock

Item Number

M101852

Grouped product items
SKU	Size	Availability	Price
M101852-1g	1g	9	$16.90
M101852-5g	5g	3	$61.90
M101852-25g	25g	8	$183.90
M101852-100g	100g	1	$660.90

View related series

Non heterocyclic block (8163) Sulfur containing compounds (986)

Basic Description

Synonyms	1-(4-Methylsulphanylphenyl)-1-ethanone \| EINECS 217-213-1 \| Disulfoton disulide \| DTXSID3075129 \| F14884 \| 4'-(Methylthio)acetophenone, 97% \| 1-[4-(Methylsulfanyl)phenyl]ethanone # \| A3943 \| W-107825 \| 1-[4-(methylsulfanyl)phenyl]ethan-1-one \| SCHEMBL1953
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Acetophenones Thiophenol ethers Benzoyl derivatives Aryl alkyl ketones Alkylarylthioethers Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Acetophenone - Aryl thioether - Aryl alkyl ketone - Thiophenol ether - Benzoyl - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488184932
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184932
IUPAC Name	1-(4-methylsulfanylphenyl)ethanone
INCHI	InChI=1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChIKey	JECUZQLBQKNEMW-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC=C(C=C1)SC
Isomeric SMILES	CC(=O)C1=CC=C(C=C1)SC
WGK Germany	3
Molecular Weight	166.24
Beilstein	8(4)356
Reaxy-Rn	1860517
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1860517&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
J2421626	Certificate of Analysis	Jun 14, 2024	M101852
H1525038	Certificate of Analysis	Apr 13, 2023	M101852
H1412391	Certificate of Analysis	Jun 14, 2022	M101852
H1412393	Certificate of Analysis	Jun 14, 2022	M101852
C1829044	Certificate of Analysis	Jan 20, 2022	M101852
D2318117	Certificate of Analysis	Jan 20, 2022	M101852
D2318126	Certificate of Analysis	Jan 20, 2022	M101852
C1829043	Certificate of Analysis	Jan 20, 2022	M101852

Chemical and Physical Properties

Solubility	Soluble in Methanol
Flash Point(°F)	> 150°C
Flash Point(°C)	>150°C
Boil Point(°C)	135°C/1mm
Melt Point(°C)	80-82°C
Molecular Weight	166.240 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	166.045 Da
Monoisotopic Mass	166.045 Da
Topological Polar Surface Area	42.400 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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