5-(4-Hydroxyphenyl)-3H-1,2-dithiole-3-thione - ≥97% , CAS No.18274-81-2

CAS: 18274-81-2 Cat. No.: H191707 Molecular Weight: 226.34 EC Number: 996-524-0
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
ADT-OH | Desmethylanethol trithione
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
H191707-50mg
3

$21.90

$32.90
Save $11.00 (33.43%)
250mg
H191707-250mg
2

$79.90

$119.90
Save $40.00 (33.36%)
1g
H191707-1g
2

$198.90

$298.90
Save $100.00 (33.46%)
5g
H191707-5g
1

$603.90

$905.90
Save $302.00 (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

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

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice 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.

Specifications

Synonyms
ADT-OH | Desmethylanethol trithione
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Pubchem Sid488194242
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488194242
Canonical SmilesC1=CC(=CC=C1C2=CC(=S)SS2)O
IUPAC Name5-(4-hydroxyphenyl)dithiole-3-thione
InChIKeyIWBBKLMHAILHAR-UHFFFAOYSA-N
INCHI1S/C9H6OS3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5,10H
Isomeric SMILES C1=CC(=CC=C1C2=CC(=S)SS2)O
Molecular Weight 226.34
Reaxy-Rn 153879
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=153879&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.

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
SuperclassBenzenoids
ClassPhenols
Subclass1-hydroxy-2-unsubstituted benzenoids
Intermediate Tree Nodes Not available
Direct Parent1-hydroxy-2-unsubstituted benzenoids
Alternative Parents Benzene and substituted derivatives  1,2-dithiole-3-thiones  Heteroaromatic compounds  Organosulfur compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 1-hydroxy-2-unsubstituted benzenoid - 1,2-dithiole-3-thione - Monocyclic benzene moiety - Heteroaromatic compound - Dithiole - 1,2-dithiole - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SGC-7901 (2773 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SH-SY5Y (11521 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bel-7402 (4577 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PBMC (10003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
HD1 Histone deacetylase (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
B16 (5829 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-22 (3261 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aorta (2975 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
B2028051Certificate of AnalysisSep 16, 2025 H191707
A2212436Certificate of AnalysisOct 17, 2024 H191707
A2212435Certificate of AnalysisOct 17, 2024 H191707
A2212418Certificate of AnalysisOct 16, 2024 H191707
A2212434Certificate of AnalysisOct 16, 2024 H191707
I2410409Certificate of AnalysisAug 31, 2024 H191707
I2410415Certificate of AnalysisAug 31, 2024 H191707
I2410416Certificate of AnalysisAug 31, 2024 H191707
E1927197Certificate of AnalysisApr 22, 2022 H191707
Chemical and Physical Properties
Molecular Weight226.300 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass225.958 Da
Monoisotopic Mass225.958 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity241.000
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

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.