5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazole-3-thiol - ≥95% , CAS No.346464-59-3

CAS: 346464-59-3 Cat. No.: W417460 Molecular Weight: 257.31 PubChem CID: 726071
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
W417460-100mg
2

$115.90

$173.90
Save $58.00 (33.35%)
250mg
W417460-250mg
3

$165.90

$248.90
Save $83.00 (33.35%)
1g
W417460-1g
1

$530.90

$796.90
Save $266.00 (33.38%)
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Why this grade

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

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Overview

analgesics; altering the lifespan of a eukaryotic organism; antinociceptive properties; antifungal activity.

Specifications

Specifications & Purity
≥95%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Product Properties
ALogP3.052
Rotatable Bond2
Names and Identifiers
Canonical SmilesCC1=C(C=CO1)C2=NNC(=S)N2C3=CC=CC=C3
IUPAC Name3-(2-methylfuran-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
InChIKeyUGMHSMHHRNSVFZ-UHFFFAOYSA-N
INCHI1S/C13H11N3OS/c1-9-11(7-8-17-9)12-14-15-13(18)16(12)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,18)
Isomeric SMILES CC1=C(C=CO1)C2=NNC(=S)N2C3=CC=CC=C3
PubChem CID 726071
Molecular Weight 257.31

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
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassTriazoles
Intermediate Tree Nodes Phenyltriazoles
Direct ParentPhenyl-1,2,4-triazoles
Alternative Parents Benzene and substituted derivatives  Triazolines  Heteroaromatic compounds  Furans  Oxacyclic compounds  Azacyclic compounds  Organosulfur compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenyl-1,2,4-triazole - Monocyclic benzene moiety - Benzenoid - Furan - Triazoline - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
PYK Pyruvate kinase (6726 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ddn Putative uncharacterized protein (49 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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:

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

3 results found

Lot NumberCertificate TypeDateItem
C23081568Certificate of AnalysisJan 12, 2026 W417460
C23081622Certificate of AnalysisJan 12, 2026 W417460
C23081626Certificate of AnalysisJan 12, 2026 W417460
Chemical and Physical Properties
DMSO(mM) Max Solubility10
Molecular Weight257.310 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass257.062 Da
Monoisotopic Mass257.062 Da
Topological Polar Surface Area72.900 Ų
Heavy Atom Count18
Formal Charge0
Complexity365.000
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
Reviews

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