2-(Methylthio)cyclohexanone - ≥98% , CAS No.52190-35-9

CAS: 52190-35-9 Cat. No.: B301280 Formule: C7H12OS Poids moléculaire: 144.23 Numéro CE: 623-576-0
DISPONIBLE À COMMANDE
GRADE & PURITY ≥98%
Synonyms
AKOS009156581 | 2-(Methylthio)cyclohexanone | SCHEMBL1713454 | 2-(Methylthio)cyclohexan-1-one | 2-(methylsulfanyl)cyclohexan-1-one | 2-(Methylthio)cyclohexanone, 98% | alpha-methylthiocyclohexanone | 2-methylsulfanylcyclohexan-1-one | DTXSID00401159
Storage
Store at 2-8°C,Argon charged,Desiccated
Shipped In
Wet ice
Size
Allemagne (EU)
USA*
Price
Qty
100mg
B301280-100mg
Sur commande · 8–12 semaines
90,16€
500mg
B301280-500mg
Sur commande · 8–12 semaines
260,23€
1g
B301280-1g
Sur commande · 8–12 semaines
433,78€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged,Desiccated Ships Wet ice 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.

Vue d’ensemble

2-(Methylthio)cyclohexanone is a 2-substituted cyclohexanone. The proportion of axial and equatorial conformation has been measured in chloroform by the Eliel method. It suggests that the in chloroform steric effect dominates over polar effect in contributing to the conformational preference. The stereoselectivity of the reduction of 2-(methylthio)cyclohexanone using different hydrides has been studied

Specifications

Synonymes
AKOS009156581 | 2-(Methylthio)cyclohexanone | SCHEMBL1713454 | 2-(Methylthio)cyclohexan-1-one | 2-(methylsulfanyl)cyclohexan-1-one | 2-(Methylthio)cyclohexanone, 98% | alpha-methylthiocyclohexanone | 2-methylsulfanylcyclohexan-1-one | DTXSID00401159
Spécifications et pureté
≥98%
Conditions de stockage de stockage
Store at 2-8°C,Argon charged,Desiccated
Expédié en
Wet ice
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Pureté
≥98%
Noms et identifiants
Sourires canoniquesCSC1CCCCC1=O
IUPAC Name2-methylsulfanylcyclohexan-1-one
InChIKeyQFABNUVNDKOIEH-UHFFFAOYSA-N
INCHI1S/C7H12OS/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
Isomères SMILES CSC1CCCCC1=O
WGK Allemagne 3
Poids moléculaire 144.23
Reaxy-Rn 1857819
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1857819&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
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentCyclic ketones
Alternative Parents Sulfenyl compounds  Dialkylthioethers  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclic ketone - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Point d'éclair (°F)192.2 °F
Point d'éclair (°C)89 °C
Point d'ébullition (°C)45°C/10.1mmHg
Poids moléculaire144.240 g/mol
XLogP31.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass144.061 Da
Monoisotopic Mass144.061 Da
Topological Polar Surface Area42.400 Ų
Heavy Atom Count9
Formal Charge0
Complexity111.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
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