5-Ethoxy-2-mercaptobenzimidazole - ≥98% , CAS No.55489-15-1

CAS: 55489-15-1 Cat. No.: E121643 Molecular Weight: 194.25 Beilstein Registry Number: 4310013 EC Number: 611-274-1
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
2H-Benzimidazole-2-thione, 5-ethoxy-1,3-dihydro- | 5-ethoxy-1H-1,3-benzodiazole-2-thiol | EU-0033920 | FT-0620367 | 5-ethoxy-1H-benzimidazole-2-thiol | 5-ethoxy-1,3-dihydrobenzimidazole-2-thione | AKOS000544631 | 5-Ethoxy-1H-benzo[d]imidazole-2-thiol | 5-
Storage
Room temperature
Shipped In
Normal
Size
Status
Price
Qty
1g
E121643-1g
4

$9.90

$14.90
Save $5.00 (33.56%)
5g
E121643-5g
5

$18.90

$28.90
Save $10.00 (34.60%)
25g
E121643-25g
5

$83.90

$125.90
Save $42.00 (33.36%)
100g
E121643-100g
2

$294.90

$442.90
Save $148.00 (33.42%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

📚

Literature proof

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

Specifications

Synonyms
2H-Benzimidazole-2-thione, 5-ethoxy-1, 3-dihydro- | 5-ethoxy-1H-1, 3-benzodiazole-2-thiol | EU-0033920 | FT-0620367 | 5-ethoxy-1H-benzimidazole-2-thiol | 5-ethoxy-1, 3-dihydrobenzimidazole-2-thione | AKOS000544631 | 5-Ethoxy-1H-benzo[d]imidazole-2-thiol | 5-
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488191482
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488191482
Canonical SmilesCCOC1=CC2=C(C=C1)NC(=S)N2
IUPAC Name5-ethoxy-1,3-dihydrobenzimidazole-2-thione
InChIKeyWUSCBOFBIYZVCQ-UHFFFAOYSA-N
INCHI1S/C9H10N2OS/c1-2-12-6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,2H2,1H3,(H2,10,11,13)
Isomeric SMILES CCOC1=CC2=C(C=C1)NC(=S)N2
WGK Germany 3
Molecular Weight 194.25
Beilstein 4310013
Reaxy-Rn 152314
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152314&ln=

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.

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
ClassBenzimidazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzimidazoles
Alternative Parents Alkyl aryl ethers  Imidazolethiones  Benzenoids  Imidazoles  Heteroaromatic compounds  Thioureas  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzimidazole - Alkyl aryl ether - Imidazole-2-thione - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Thiourea - Ether - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PSMB5 Tclin Proteasome Macropain subunit MB1 (2451 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
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PSMB8 Tclin Proteasome subunit beta type-8 (743 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
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
fba Putative fructose-1,6-bisphosphate aldolase (15559 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.

9 results found

Lot NumberCertificate TypeDateItem
D2422239Certificate of AnalysisMar 25, 2024 E121643
D2422240Certificate of AnalysisMar 25, 2024 E121643
C23151419Certificate of AnalysisJan 14, 2023 E121643
C23151432Certificate of AnalysisJan 14, 2023 E121643
C23151436Certificate of AnalysisJan 14, 2023 E121643
C23151437Certificate of AnalysisJan 14, 2023 E121643
C23151492Certificate of AnalysisJan 14, 2023 E121643
C23151493Certificate of AnalysisJan 14, 2023 E121643
C23151582Certificate of AnalysisJan 14, 2023 E121643
Chemical and Physical Properties
Melt Point(°C)246°C
Molecular Weight194.260 g/mol
XLogP31.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass194.051 Da
Monoisotopic Mass194.051 Da
Topological Polar Surface Area65.400 Ų
Heavy Atom Count13
Formal Charge0
Complexity210.000
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

Customer Reviews

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