2-Phenylbenzo[d]isothiazol-3(2H)-one - ≥98% , CAS No.2527-03-9

Name: 2-Phenylbenzo[d]isothiazol-3(2H)-one - ≥98% , CAS No.2527-03-9
Brand: Aladdin Scientific
SKU: B668106
Availability: InStock

CAS: 2527-03-9 Cat. No.: B668106 Molecular Weight: 227.28 EC Number: 843-953-5 PubChem CID: 164981

COA

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2-Phenylbenzo[d]isothiazol-3(2H)-one - ≥98% CAS No(2527-03-9) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

2-phenyl-1,2-benzothiazol-3-one | 1,2-Benzisothiazol-3(2H)-one, 2-phenyl- | 2-Phenylbenzo[d]isothiazol-3(2H)-one | 2-phenyl-1,2-benzisothiazol-3(2H)-one | PD086291 | 2-Phenyl-1,2-benzisothiazol-3-(2H)-one | MLS-0107957.0001 | PZ 25 | PZ-25 | MLS000537191

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Argon charged Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

2-phenyl-1, 2-benzothiazol-3-one | 1, 2-Benzisothiazol-3(2H)-one, 2-phenyl- | 2-Phenylbenzo[d]isothiazol-3(2H)-one | 2-phenyl-1, 2-benzisothiazol-3(2H)-one | PD086291 | 2-Phenyl-1, 2-benzisothiazol-3-(2H)-one | MLS-0107957.0001 | PZ 25 | PZ-25 | MLS000537191

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%

Product Properties

ALogP	3

Names and Identifiers

Canonical Smiles	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2
IUPAC Name	2-phenyl-1,2-benzothiazol-3-one
InChIKey	KDMQSUUXKLZVNU-UHFFFAOYSA-N
INCHI	1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
Isomeric SMILES	C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2
PubChem CID	164981
Molecular Weight	227.28

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Benzene and substituted derivatives Thiazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,2-benzothiazole - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

PHOSPHO1 Tchem Phosphoethanolamine/phosphocholine phosphatase (2 Activities)

Discover Target: PHOSPHO1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CASP3 Tchem Caspase-3 (1 Activities)

Discover Target: CASP3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CASP3 Tchem Caspase-3 (3632 Activities)

Discover Target: CASP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

Discover Target: PLK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MPI Tchem Mannose-6-phosphate isomerase (940 Activities)

Discover Target: MPI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HaCaT (4069 Activities)

Lot Number	Certificate Type	Date	Item
C2505080	Certificate of Analysis	Oct 18, 2024	B668106
C2505081	Certificate of Analysis	Oct 18, 2024	B668106
C2505082	Certificate of Analysis	Oct 18, 2024	B668106
C2505186	Certificate of Analysis	Oct 18, 2024	B668106

Molecular Weight	227.280 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	227.04 Da
Monoisotopic Mass	227.04 Da
Topological Polar Surface Area	45.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	275.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1