1‐(benzenesulfonyl)‐6‐iodo‐2‐methyl‐1H‐indole - ≥97% , CAS No.1818847-55-0

CAS: 1818847-55-0 Cat. No.: B175199 Molecular Weight: 397.231 PubChem CID: 118998378
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
1H-Indole, 6-iodo-2-methyl-1-(phenylsulfonyl)- | AKOS027337242 | 1-(Benzenesulfonyl)-6-iodo-2-methyl-1H-indole | SY099223 | 1818847-55-0 | DTXSID401249972 | MFCD29060183 | AS-52522 | 1-(BENZENESULFONYL)-6-IODO-2-METHYLINDOLE | 1-(benzenesulfonyl)-6-iodo-2
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
500mg
B175199-500mg
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$1,701.90

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Why this grade

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

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Storage & shipping

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

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
1H-Indole, 6-iodo-2-methyl-1-(phenylsulfonyl)- | AKOS027337242 | 1-(Benzenesulfonyl)-6-iodo-2-methyl-1H-indole | SY099223 | 1818847-55-0 | DTXSID401249972 | MFCD29060183 | AS-52522 | 1-(BENZENESULFONYL)-6-IODO-2-METHYLINDOLE | 1-(benzenesulfonyl)-6-iodo-2
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=C(C=C2)I
IUPAC Name1-(benzenesulfonyl)-6-iodo-2-methylindole
InChIKeyWAAJUAMRMKSCBU-UHFFFAOYSA-N
INCHI1S/C15H12INO2S/c1-11-9-12-7-8-13(16)10-15(12)17(11)20(18,19)14-5-3-2-4-6-14/h2-10H,1H3
Isomeric SMILES CC1=CC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=C(C=C2)I
PubChem CID 118998378
Molecular Weight 397.231

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzenesulfonamides
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonamides
Alternative Parents Indoles and derivatives  Substituted pyrroles  Sulfonyls  Pyrrolines  Organosulfonic acids and derivatives  Heteroaromatic compounds  Vinyl iodides  Iodoalkenes  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organoiodides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzenesulfonamide - Indole or derivatives - Substituted pyrrole - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrroline - Azacycle - Iodoalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight397.200 g/mol
XLogP34.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass396.963 Da
Monoisotopic Mass396.963 Da
Topological Polar Surface Area47.500 Ų
Heavy Atom Count20
Formal Charge0
Complexity441.000
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
Solution Calculators
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