MolGraph
CompoundsDocumentationComplianceAbout
MolGraph

Research chemical sourcing and molecular building block RFQ workflows.

MolGraph is operated by Tessorix Inc.

support@molgraph.com

Products are intended for laboratory research use only and are not for human or veterinary use.

Compounds

  • Compound catalog
  • CAS Search

Company

  • About
  • Contact

Documentation

  • Quality Documentation
  • SDS Disclaimer

Compliance

  • Compliance

Legal

  • Terms
  • Privacy

Copyright © 2026 MolGraph. All Rights Reserved.

Home/Compounds/CAS 3414-94-6
Formula C8H7N3SMW 177.23Research-use catalog entryCOA/SDS by request

5-Phenyl-s-triazole-3-thiol

CAS Number: 3414-94-6

Sourcing & RFQ

Submit an RFQ to review pricing, availability, lead time, pack size, purity, COA, and supplier SDS for this catalog entry.

Available options

Available Options

Package
1 g
Purity
98%
Price
Request review
Availability
Shipping review required
Delivery
Shipping review required
Package
10 g
Purity
98%
Price
Request review
Availability
Shipping review required
Delivery
Shipping review required
Package
25 g
Purity
98%
Price
Request review
Availability
Shipping review required
Delivery
Shipping review required
Package
250 mg
Purity
98%
Price
Request review
Availability
Shipping review required
Delivery
Shipping review required
Package
5 g
Purity
98%
Price
Request review
Availability
Shipping review required
Delivery
Shipping review required

Shipping review is required before pricing or stock can be confirmed publicly. Shipping, duties, and documentation fees are confirmed before order acceptance.

Loading RDKit molecule structure...
InChIKey: JRLMMJNORORYPO-UHFFFAOYSA-NC8H7N3S | MW 177.23

Chemical Absolute Identifiers

CAS Number

3414-94-6

PubChem CID

698268

Molecular Formula

C8H7N3S

Molecular Weight

177.23 g/mol

Exact Mass

177.036068

InChIKey

JRLMMJNORORYPO-UHFFFAOYSA-N

IUPAC Name

5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione

SMILES String

C1=CC=C(C=C1)C2=NC(=S)NN2

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

5-Phenyl-s-triazole-3-thiol (CAS 3414-94-6) is listed in the Advanced Chemicals portfolio, with molecular formula C8H7N3S and molecular weight 177. 23 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Organic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: DCN1-like protein 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

DCN1-like protein 1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.3

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

5-Phenyl-s-triazole-3-thiol

Names & Synonyms

5-Phenyl-1H-1,2,4-triazole-3-thiol5-phenyl-4H-1,2,4-triazole-3-thiol1H-1,2,4-TRIAZOLE-3-THIOL, 5-PHENYL-3-Phenyl-1,2,4-triazole-5-thiol5-Phenyl-2H-1,2,4-triazole-3-thiol
Show all synonyms
1,4-Dihydro-5-phenyl-3H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-phenyl-2-Fenil-5-mercapto-1,3,4-triazolo [Italian]2-Fenil-5-mercapto-1,3,4-triazolo3-Mercapto-5-phenyl-1,2,4-triazole3H-1,2,4-Triazole-3-thione, 1,4-dihydro-5-phenyl-delta2-1,2,4-Triazoline-5-thione, 3-phenyl-.DELTA.2-1,2,4-Triazoline-5-thione, 3-phenyl-3-PHENYL-5-MERCAPTO-S-TRIAZOLES-TRIAZOLE-3-THIOL, 5-PHENYL-5-PHENYL-1,2,4-TRIAZOLE-3-THIOL1,2-DIHYDRO-5-PHENYL-3H-1,2,4-TRIAZOLE-3-THIONEdelta2-1,2,4-Triazoline-5-thione, 3-phenyl-(8CI)3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-phenyl-(9CI)3-phenyl-1H-1,2,4-triazole-5-thiol
External Identifiers
EC NUMBER: 626-000-6DSSTOX SUBSTANCE ID: DTXSID80187742CHEMBL ID: CHEMBL85091UNII: V3LV9TS8XDWIKIDATA ID: Q72499101
Experimental Spectrum References
13C NMR Spectra1D NMR Spectra1H NMR SpectraATR-IR SpectraFTIR SpectraUV-VIS Spectra
Literature & Patent References
DOI 10.1016/j.ejmech.2021.113326Development of phenyltriazole thiol-based derivatives as highly potent inhibitors of DCN1-UBC12 interaction.PMID 33756127Development of phenyltriazole thiol-based derivatives as highly potent inhibitors of DCN1-UBC12 interaction.DOI 10.1007/s00044-010-9508-xDesign and synthesis of some thiazolotriazolyl esters as anti-inflammatory and analgesic agentsDOI 10.1016/j.bmcl.2011.10.1163-mercapto-1,2,4-triazoles and N-acylated thiosemicarbazides as metallo-β-lactamase inhibitors.PMID 221155953-mercapto-1,2,4-triazoles and N-acylated thiosemicarbazides as metallo-β-lactamase inhibitors.DOI 10.1016/s0960-894x(03)00561-4Hit-to-lead studies: the discovery of potent, orally bioavailable triazolethiol CXCR2 receptor antagonists.PMID 12873480Hit-to-lead studies: the discovery of potent, orally bioavailable triazolethiol CXCR2 receptor antagonists.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolCAS 26028-65-9
4,5-Diphenyl-2-imidazolethiolCAS 2349-58-8
6-Phenyl-2-thiouracilCAS 36822-11-4
5-Mercapto-4-phenyl-4H-(1,2,4)triazol-3-OLCAS 27106-12-3
2(1H)-QuinolinethioneCAS 2637-37-8

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 26028-65-95-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiolCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 3414-94-6

What are the key identifiers for 5-Phenyl-s-triazole-3-thiol (CAS 3414-94-6)?

5-Phenyl-s-triazole-3-thiol is identified by CAS 3414-94-6, with molecular formula C8H7N3S, molecular weight 177.23, InChIKey JRLMMJNORORYPO-UHFFFAOYSA-N.

Does CAS 3414-94-6 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with DCN1-like protein 1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 3414-94-6?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 5-Phenyl-s-triazole-3-thiol?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 3414-94-6 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.