2-Mercapto-6-nitrobenzothiazole - ≥97% , CAS No.4845-58-3

CAS: 4845-58-3 Cat. No.: M158473 Peso molecular: 212.24 Beilstein Registry Number: 27(2)234 Número EC: 678-269-4
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
AS-62594 | DTXSID3063621 | NSC 2630 | 2-Benzothiazolinethione, 6-nitro- | AKOS000271152 | MFCD00041850 | 2(3H)-Benzothiazolethione, 6-nitro- | 2-Mercapto-6-nitrobenzothiazole | 2-mercapto-6-nitro-benzothiazole | SCHEMBL1247145
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
M158473-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
32,90US$
5g
M158473-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
95,90US$
25g
M158473-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
399,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
AS-62594 | DTXSID3063621 | NSC 2630 | 2-Benzothiazolinethione, 6-nitro- | AKOS000271152 | MFCD00041850 | 2(3H)-Benzothiazolethione, 6-nitro- | 2-Mercapto-6-nitrobenzothiazole | 2-mercapto-6-nitro-benzothiazole | SCHEMBL1247145
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasC1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2
IUPAC Name6-nitro-3H-1,3-benzothiazole-2-thione
InChIKeyQPOZGXKWWKLJDK-UHFFFAOYSA-N
INCHI1S/C7H4N2O2S2/c10-9(11)4-1-2-5-6(3-4)13-7(12)8-5/h1-3H,(H,8,12)
Isómeros SMILES C1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2
RTECS DL6600000
Peso molecular 212.24
Beilstein 27(2)234
Reaxy-Rn 172125
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=172125&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
ClaseBenzothiazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzothiazoles
Alternative Parents Nitroaromatic compounds  Benzenoids  Thiazoles  Heteroaromatic compounds  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organosulfur compounds  Organopnictogen compounds  Organonitrogen compounds  Organic zwitterions  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 1,3-benzothiazole - Nitroaromatic compound - Benzenoid - Azole - Thiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PSMB8 Tclin Proteasome subunit beta type-8 (743 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNCA Tchem Alpha-synuclein (10960 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CRHR2 Tchem Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein (4148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular212.300 g/mol
XLogP32.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass211.971 Da
Monoisotopic Mass211.971 Da
Topological Polar Surface Area115.000 Ų
Heavy Atom Count13
Formal Charge0
Complexity253.000
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
Referencias
1. Jingyang Zhu, Lifeng Yin, Weiyi Zhang, Meilian Chen, Dongsheng Feng, Yong Zhao, Yongheng Zhu.  (2021)  Colorimetric Measurement of Deltamethrin Pesticide Using a Paper Sensor Based on Aggregation of Gold Nanoparticles.  Coatings,  12  (1): (38).  [PMID:] [10.3390/coatings12010038]
2. Yanyan Lu, Yu Qiao, Haoming Bao, Kang Chen, Yi Wei, Qian Zhao, Guo Kang Leon, Hongwen Zhang, Xing Yi Ling, Weiping Cai.  (2025)  Machine Learning-Driven Surface Plasmon-Enhanced Dual Spectroscopies Improve Recognition and Real-Time Monitoring of Hazardous Chemicals.  ANALYTICAL CHEMISTRY,      [PMID:40214208] [10.1021/acs.analchem.5c00545]
Calculadoras de soluciones
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