[1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione

Modify Date: 2026-07-06 17:40:56

[1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione Structure
[1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione structure
Common Name [1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione
CAS Number 6952-68-7 Molecular Weight 151.18900
Density 1.49 g/cm3 Boiling Point 235.1ºC at 760 mmHg
Molecular Formula C6H5N3S Melting Point 209-210ºC
MSDS N/A Flash Point 96ºC

 Names

Name [1,2,4]Triazolo[4,3-a]pyridine-3-thiol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.49 g/cm3
Boiling Point 235.1ºC at 760 mmHg
Melting Point 209-210ºC
Molecular Formula C6H5N3S
Molecular Weight 151.18900
Flash Point 96ºC
Exact Mass 151.02000
PSA 65.18000
LogP 1.39190
Index of Refraction 1.784
InChIKey ZQMDNIPQCWNIMG-UHFFFAOYSA-N
SMILES S=c1[nH]nc2ccccn12

 MSDS

Name: [1 2 4]Triazolo[4 3-a]pyridine-3-thiol 97% Material Safety Data Sheet
Synonym:
CAS: 6952-68-7
Section 1 - Chemical Product MSDS Name:[1 2 4]Triazolo[4 3-a]pyridine-3-thiol 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6952-68-7 [1,2,4]Triazolo[4,3-a]pyridine-3-thiol 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6952-68-7: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H5N3S
Molecular Weight: 151.19

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6952-68-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
[1,2,4]Triazolo[4,3-a]pyridine-3-thiol - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 6952-68-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6952-68-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6952-68-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases S36/37
HS Code 2933990090

 Synthetic Route

~%

[1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione Structure

[1,2,4]Triazolo...

CAS#:6952-68-7

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Literature: Journal of the American Chemical Society, , vol. 70, p. 1381,1384

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[1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione Structure

[1,2,4]Triazolo...

CAS#:6952-68-7

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Literature: Edlin, Chris D.; Morgans, Garreth; Winks, Susan; Duffy, Sandra; Avery, Vicky M.; Wittlin, Sergio; Waterson, David; Burrows, Jeremy; Bryans, Justin ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 7 p. 570 - 573

~%

[1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione Structure

[1,2,4]Triazolo...

CAS#:6952-68-7

Learn More
Literature: Journal of the American Chemical Society, , vol. 70, p. 1381,1384

~%

[1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione Structure

[1,2,4]Triazolo...

CAS#:6952-68-7

Learn More
Literature: Journal of Organic Chemistry, , vol. 24, p. 1478,1481

~%

[1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione Structure

[1,2,4]Triazolo...

CAS#:6952-68-7

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Literature: Journal of the Chemical Society, , vol. 123, p. 320

~%

Detail Learn More
Literature: Journal of the Chemical Society, , vol. 123, p. 320

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

Name: C. difficile toxins: Counterscreen in absence of substrate UDPG Measured in Biochemic...
Source: Broad Institute
Target: N/A
External Id: 7074-02_Inhibitor_Dose_CherryPick_Activity
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
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 Synonyms

2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
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