Benzothiazole - CP , CAS No.95-16-9

CAS: 95-16-9 Cat. No.: B104851 Formula: C7H5NS Molecular Weight: 135.19 Beilstein Registry Number: 109468 EC Number: 202-396-2
AVAILABLE TO ORDER
GRADE & PURITY CP ? Chemically Pure grade — moderate purity above technical grade but below analytical. Use for general lab reactions where ultra-low impurities aren't critical.
Synonyms
AKOS000120178 | NCGC00257070-01 | Benzothiazole, Vetec(TM) reagent grade, 96% | D77749 | EC 202-396-2 | FT-0662581 | Benzothiazole, analytical standard | CCRIS 7893 | SCHEMBL9304593 | FEMA No. 3256 | HSDB 2796 | AI3-05742 | Benzosulfonazole | NCGC00091399
Storage
Protected from light,Room temperature,Argon charged
Shipped In
Normal
★
Size
USA
Germany (EU)*
Price
Qty
25g
B104851-25g
1 In stock
—
$9.90
100g
B104851-100g
4 In stock
—
$11.90
500g
B104851-500g
1 In stock
1 In stock
$19.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

CP CP for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature,Argon charged Ships Normal 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 63 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AKOS000120178 | NCGC00257070-01 | Benzothiazole, Vetec(TM) reagent grade, 96% | D77749 | EC 202-396-2 | FT-0662581 | Benzothiazole, analytical standard | CCRIS 7893 | SCHEMBL9304593 | FEMA No. 3256 | HSDB 2796 | AI3-05742 | Benzosulfonazole | NCGC00091399
Specifications & Purity
CP
Storage
Protected from light,Room temperature,Argon charged
Shipped In
Normal
Grade
CP
Action Type
INHIBITOR
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180339
Canonical Smiles
C1=CC=C2C(=C1)N=CS2
IUPAC Name
1,3-benzothiazole
InChIKey
IOJUPLGTWVMSFF-UHFFFAOYSA-N
INCHI
1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
Isomeric SMILES
C1=CC=C2C(=C1)N=CS2
WGK Germany
2
RTECS
DL0875000
UN Number
2810
Molecular Weight
135.19
Beilstein
109468
Reaxy-Rn
109468
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109468&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
ClassBenzothiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazoles
Alternative Parents Benzenoids  Thiazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-benzothiazole - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis 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 benzothiazoles
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PRKAA2 Tchem AMP-activated protein kinase, alpha-2 subunit (1328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H522 (44358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 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
GMNN Tbio Geminin (128009 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:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot NumberCertificate TypeDateItem
G2107121Certificate of AnalysisApr 03, 2025 B104851
G2107319Certificate of AnalysisApr 03, 2025 B104851
L2413048Certificate of AnalysisDec 19, 2024 B104851
I2215094Certificate of AnalysisSep 22, 2022 B104851
I2203027Certificate of AnalysisSep 09, 2022 B104851
I2203032Certificate of AnalysisSep 09, 2022 B104851
I2203033Certificate of AnalysisSep 09, 2022 B104851
I2203034Certificate of AnalysisSep 09, 2022 B104851
H1808006Certificate of AnalysisJun 15, 2022 B104851
Chemical and Physical Properties
SolubilitySolubility in water: Practically Insoluble; Degree of Solubility in water: 4.3 g/l; Soluble in Ether,Acetone,Alcohol
SensitivityLight & air sensitive.
Refractive Index1.6379
Flash Point(°F)224.6 °F
Flash Point(°C)107 °C
Boil Point(°C)231°C
Melt Point(°C)2°C
Molecular Weight135.190 g/mol
XLogP32.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass135.014 Da
Monoisotopic Mass135.014 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity105.000
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
Documents & Articles
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

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