5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-amine - ≥97% , CAS No.828-81-9

CAS: 828-81-9 Cat. No.: C186800 Molecular Weight: 211.67 EC Number: 894-177-9
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
EN300-52471 | Oprea1_767155 | A915527 | 5-(2-Chloro-phenyl)-[1,3,4]thiadiazol-2-ylamine | 5-(2-Chlorophenyl)-[1,3,4]thiadiazol-2-ylamine | BB 0253990 | STK008670 | DS-11938 | SMR000009202 | SR-01000400619 | BRAF Inhibitor GSK2118436 | Z332385230 | MLS0000
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
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Size
Status
Price
Qty
1g
C186800-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$16.90

$25.90
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5g
C186800-5g
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$35.90

$53.90
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25g
C186800-25g
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$133.90

$200.90
Save $67.00 (33.35%)
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C,Protected from light,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
EN300-52471 | Oprea1_767155 | A915527 | 5-(2-Chloro-phenyl)-[1, 3, 4]thiadiazol-2-ylamine | 5-(2-Chlorophenyl)-[1, 3, 4]thiadiazol-2-ylamine | BB 0253990 | STK008670 | DS-11938 | SMR000009202 | SR-01000400619 | BRAF Inhibitor GSK2118436 | Z332385230 | MLS0000
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Protected from light, 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
Canonical SmilesC1=CC=C(C(=C1)C2=NN=C(S2)N)Cl
IUPAC Name5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine
InChIKeyJKSGNHRIXMYPIO-UHFFFAOYSA-N
INCHI1S/C8H6ClN3S/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
Isomeric SMILES C1=CC=C(C(=C1)C2=NN=C(S2)N)Cl
Molecular Weight 211.67
Reaxy-Rn 164798
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=164798&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
ClassBenzene and substituted derivatives
SubclassHalobenzenes
Intermediate Tree Nodes Not available
Direct ParentChlorobenzenes
Alternative Parents 2-amino-5-substituted-1,3,4-thiadiazoles  Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Chlorobenzene - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Aryl chloride - Aryl halide - Thiadiazole - Azole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 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
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
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ddn Putative uncharacterized protein (49 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 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 Weight211.670 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass210.997 Da
Monoisotopic Mass210.997 Da
Topological Polar Surface Area80.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity181.000
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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