5-(2-PYRIMIDINYLTHIO)-2-FURALDEHYDE , CAS No.57603-82-4

CAS: 57603-82-4 Cat. No.: P171065 Molecular Weight: 206.224 EC Number: 663-615-9 PubChem CID: 1112170
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Synonyms
F72195 | 5-(Pyrimidin-2-ylsulfanyl)-furan-2-carbaldehyde | 5-(pyrimidin-2-ylsulfanyl)furan-2-carbaldehyde | 5-(pyrimidin-2-ylthio)-2-furaldehyde | VS-08110 | SMR000288718 | MLS000707253 | HMS2710G12 | DTXSID60360435 | AE-641/30106023 | AKOS000300543 | 5-(
Storage
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Shipped In
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Qty
25mg
P171065-25mg
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Why this grade

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
F72195 | 5-(Pyrimidin-2-ylsulfanyl)-furan-2-carbaldehyde | 5-(pyrimidin-2-ylsulfanyl)furan-2-carbaldehyde | 5-(pyrimidin-2-ylthio)-2-furaldehyde | VS-08110 | SMR000288718 | MLS000707253 | HMS2710G12 | DTXSID60360435 | AE-641/30106023 | AKOS000300543 | 5-(
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
Canonical SmilesC1=CN=C(N=C1)SC2=CC=C(O2)C=O
IUPAC Name5-pyrimidin-2-ylsulfanylfuran-2-carbaldehyde
InChIKeyBVGQOPQJOBCDBN-UHFFFAOYSA-N
INCHI1S/C9H6N2O2S/c12-6-7-2-3-8(13-7)14-9-10-4-1-5-11-9/h1-6H
Isomeric SMILES C1=CN=C(N=C1)SC2=CC=C(O2)C=O
PubChem CID 1112170
Molecular Weight 206.224

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.

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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
SuperclassOrganosulfur compounds
ClassThioethers
SubclassAryl thioethers
Intermediate Tree Nodes Not available
Direct ParentDiarylthioethers
Alternative Parents Aryl-aldehydes  Pyrimidines and pyrimidine derivatives  Heteroaromatic compounds  Furans  Sulfenyl compounds  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diarylthioether - Aryl-aldehyde - Pyrimidine - Furan - Heteroaromatic compound - Sulfenyl compound - Oxacycle - Azacycle - Organoheterocyclic compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight206.220 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass206.015 Da
Monoisotopic Mass206.015 Da
Topological Polar Surface Area81.300 Ų
Heavy Atom Count14
Formal Charge0
Complexity197.000
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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