1-(fenilsulfonil)indolina - ≥95% , CAS No.81114-41-2

CAS: 81114-41-2 Cat. No.: I698650 Peso molecular: 259.329 PubChem CID: 668757
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
100mg
I698650-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

86,90US$

130,90US$
Guardar 44,00 US$ (33.61%)
250mg
I698650-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

189,90US$

284,90US$
Guardar 95,00 US$ (33.35%)
1g
I698650-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

473,90US$

710,90US$
Guardar 237,00 US$ (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Propiedades del producto
ALogP2.7
Nombres e identificadores
Sonrisas canónicasC1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3
IUPAC Name1-(benzenesulfonyl)-2,3-dihydroindole
InChIKeyAVIIJCYFOVAPRK-UHFFFAOYSA-N
INCHI1S/C14H13NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-9H,10-11H2
Isómeros SMILES C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3
PubChem CID 668757
Peso molecular 259.329

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
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzenesulfonamides
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonamides
Alternative Parents Indoles and derivatives  Benzenesulfonyl compounds  Organosulfonamides  Sulfonyls  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzenesulfonamide - Indole or derivatives - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular259.329 g/mol
XLogP32.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass259.067 Da
Monoisotopic Mass259.067 Da
Topological Polar Surface Area45.800 Ų
Heavy Atom Count18
Formal Charge0
Complexity381.000
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
Calculadoras de soluciones
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