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

CAS: 1778-09-2 Cat. No.: M101852 분자식: CH3SC6H4COCH3 분자량: 166.24 Beilstein Registry Number: 8(4)356 EC 번호: 217-213-1
주문 가능
GRADE & PURITY ≥97%
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
Storage
Room temperature
Shipped In
Normal
★
Size
USA
독일 (EU)*
Price
Qty
1g
M101852-1g
9 재고 있음
—

US$9.90

US$14.90
저장 US$5.00 (33.56%)
5g
M101852-5g
3 재고 있음
—

US$12.90

US$19.90
저장 US$7.00 (35.18%)
25g
M101852-25g
8 재고 있음
—

US$19.90

US$29.90
저장 US$10.00 (33.44%)
100g
M101852-100g
1 재고 있음
—

US$48.90

US$73.90
저장 US$25.00 (33.83%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
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
사양 및 순도
≥97%
보관 조건
Room temperature
배송
Normal
순수함
≥97%
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184932
정식 스마일
CC(=O)C1=CC=C(C=C1)SC
IUPAC Name
1-(4-methylsulfanylphenyl)ethanone
InChIKey
JECUZQLBQKNEMW-UHFFFAOYSA-N
INCHI
1S/C9H10OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
이성체 SMILES
CC(=O)C1=CC=C(C=C1)SC
WGK 독일
3
분자량
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
분류Organooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones
Direct ParentAlkyl-phenylketones
Alternative Parents Acetophenones  Thiophenol ethers  Benzoyl derivatives  Aryl alkyl ketones  Alkylarylthioethers  Sulfenyl compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
설명This 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
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot NumberCertificate Type날짜항목
C1829044Certificate of AnalysisOct 14, 2025 M101852
C1829043Certificate of AnalysisOct 14, 2025 M101852
A1421005Certificate of AnalysisSep 16, 2025 M101852
J2421626Certificate of AnalysisJun 14, 2024 M101852
H1525038Certificate of AnalysisApr 13, 2023 M101852
H1412391Certificate of AnalysisJun 14, 2022 M101852
H1412393Certificate of AnalysisJun 14, 2022 M101852
D2318117Certificate of AnalysisJan 20, 2022 M101852
D2318126Certificate of AnalysisJan 20, 2022 M101852
화학 및 물리적 특성
용해성Soluble in Methanol
발화점(°F)> 150°C
발화점(°C)>150°C
끓는점(°C)135°C/1mm
녹는점(°C)80-82°C
분자량166.240 g/mol
XLogP32.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass166.045 Da
Monoisotopic Mass166.045 Da
Topological Polar Surface Area42.400 Ų
Heavy Atom Count11
Formal Charge0
Complexity136.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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