N-Hydroxy-3-[1-(phenylthio)methyl-1H-1,2,3-triazol-4-yl]benzamide - ≥96%(HPLC) , CAS No.1316652-41-1

CAS: 1316652-41-1 Cat. No.: N159732 Molecular Weight: 326.37
AVAILABLE TO ORDER
GRADE & PURITY ≥96%(HPLC)
Synonyms
AKOS028113476 | H1340 | N-hydroxy-3-(1-((phenylthio)methyl)-1H-1,2,3-triazol-4-yl)benzamide | N-Oxo-3-{1-[(phenylsulfanyl)methyl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}benzamide | 1316652-41-1 | D91027 | SCHEMBL17549779 | NCC 149 | PD119857 | N-hydroxy-3-[1-(
Storage
Store at 2-8°C
Shipped In
Wet ice
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Size
Status
Price
Qty
5mg
N159732-5mg
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Why this grade

≥96%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice 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.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AKOS028113476 | H1340 | N-hydroxy-3-(1-((phenylthio)methyl)-1H-1, 2, 3-triazol-4-yl)benzamide | N-Oxo-3-{1-[(phenylsulfanyl)methyl]-2, 3-dihydro-1H-1, 2, 3-triazol-4-yl}benzamide | 1316652-41-1 | D91027 | SCHEMBL17549779 | NCC 149 | PD119857 | N-hydroxy-3-[1-(
Specifications & Purity
≥96%(HPLC)
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥96%(HPLC)
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)SCN2C=C(N=N2)C3=CC(=CC=C3)C(=O)NO
IUPAC NameN-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide
InChIKeyDORPIZJGSLWDIY-UHFFFAOYSA-N
INCHI1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
Isomeric SMILES C1=CC=C(C=C1)SCN2C=C(N=N2)C3=CC(=CC=C3)C(=O)NO
Molecular Weight 326.37
Reaxy-Rn 23157027
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23157027&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
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassTriazoles
Intermediate Tree Nodes Phenyltriazoles
Direct ParentPhenyl-1,2,3-triazoles
Alternative Parents Benzoic acids and derivatives  Thiophenol ethers  Benzoyl derivatives  Alkylarylthioethers  Heteroaromatic compounds  Hydroxamic acids  Sulfenyl compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenyl-1,2,3-triazole - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Hydroxamic acid - Sulfenyl compound - Thioether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HDAC8 Tclin Histone deacetylase 8 (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HDAC8 Tclin Histone deacetylase 8 (4516 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC2 Tclin Histone deacetylase 2 (3971 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC3 Tclin Histone deacetylase 3 (3654 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HDAC4 Tclin Histone deacetylase 4 (2328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MT2 (2907 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MT4 (17854 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Jurkat (10389 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PBMC (10003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NB1 (136 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac1 Histone deacetylase 1 (93 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HD1 Histone deacetylase (38 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Schistosoma mansoni (6170 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
SensitivityHeat Sensitive
Melt Point(°C)153 °C(dec.)
Molecular Weight326.400 g/mol
XLogP32.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass326.084 Da
Monoisotopic Mass326.084 Da
Topological Polar Surface Area105.000 Ų
Heavy Atom Count23
Formal Charge0
Complexity392.000
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
Citations of This Product
References
1. Zhou-Yang Li, Min Li, Xue-Ning Zhang, Kun Zheng, Han-Bing Xiao, Ai-Jie Wang, Yi-Lu Sun.  (2025)  Mechanisms linking triclocarban biotransformation to functional response in sulfur-metabolism biofilm.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40690841] [10.1016/j.jhazmat.2025.139255]
Solution Calculators
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