5-(2-Ethoxyphenyl)-1,3,4-oxadiazole-2-thiol , CAS No.19982-38-8

CAS: 19982-38-8 Cat. No.: E668683 Molecular Weight: 222.27 PubChem CID: 2235547
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Synonyms
5-(2-ethoxyphenyl)-1,3,4-oxadiazole-2-thiol | 5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione | SMR000144651 | MLS000538614 | BDBM43603 | cid_2235547 | DTXSID30367133 | CHEBI:116745 | HMS2452G06 | STL296140 | AKOS000406355 | 5-o-phenetyl-3H-1,3,4-oxadiazo
Storage
Room temperature
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Size
Status
Price
Qty
1mg
E668683-1mg
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$571.90

$999.90
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5mg
E668683-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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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 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
5-(2-ethoxyphenyl)-1, 3, 4-oxadiazole-2-thiol | 5-(2-ethoxyphenyl)-3H-1, 3, 4-oxadiazole-2-thione | SMR000144651 | MLS000538614 | BDBM43603 | cid_2235547 | DTXSID30367133 | CHEBI:116745 | HMS2452G06 | STL296140 | AKOS000406355 | 5-o-phenetyl-3H-1, 3, 4-oxadiazo
Storage
Room temperature
Product Properties
ALogP2.4
Names and Identifiers
Canonical SmilesCCOC1=CC=CC=C1C2=NNC(=S)O2
IUPAC Name5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
InChIKeyVTXLLACKNPVAJW-UHFFFAOYSA-N
INCHI1S/C10H10N2O2S/c1-2-13-8-6-4-3-5-7(8)9-11-12-10(15)14-9/h3-6H,2H2,1H3,(H,12,15)
Isomeric SMILES CCOC1=CC=CC=C1C2=NNC(=S)O2
PubChem CID 2235547
Molecular Weight 222.27

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
ClassPhenol ethers
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol ethers
Alternative Parents Phenoxy compounds  Alkyl aryl ethers  Heteroaromatic compounds  1,3,4-oxadiazoles  Oxacyclic compounds  Azacyclic compounds  Organosulfur compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
STAT3 Tchem Signal transducer and activator of transcription 3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
STAT3 Tchem Signal transducer and activator of transcription 3 (3313 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
STAT1 Tchem Signal transducer and activator of transcription 1-alpha/beta (808 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
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXFP1 Tchem Relaxin receptor 1 (6345 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 (749 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 (749 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 (749 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Impa1 Inositol monophosphatase 1 (16203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCT2 T-complex protein 1 subunit beta (5007 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
clpP ATP-dependent Clp protease proteolytic subunit (245 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 Weight222.270 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass222.046 Da
Monoisotopic Mass222.046 Da
Topological Polar Surface Area74.900 Ų
Heavy Atom Count15
Formal Charge0
Complexity281.000
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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