4-Methyl-5-thiazoleethanol - ≥98% , CAS No.137-00-8

CAS: 137-00-8 Cat. No.: M106766 Formula: C₆H₉NOS Peso molecolare: 143.21 Beilstein Registry Number: 114249 Numero EC: 205-272-6

GRADE & PURITY ≥98%

Synonyms

5-(.BETA.-HYDROXYETHYL)-4-METHYLTHIAZOLE | 4-Methyl-5-hydroxyethylthiazole | BDBM50016817 | CAS-137-00-8 | 2-(4-methyl-5-thiazolyl)ethanol | NSC41831 | NSC-41831 | NSC23262 | NSC-23262 | 4-Methyl-5-thiazolethanol | PD007492 | TZE | UNII-3XYV4I47I8 | 5-(Hy

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

4-Methyl-5-thiazoleethanol is a sulfur-containing heterocyclic flavor compound that is reported to occur in Comté cheese and Panax ginseng.

Specifications

Sinonimi

5-(.BETA.-HYDROXYETHYL)-4-METHYLTHIAZOLE | 4-Methyl-5-hydroxyethylthiazole | BDBM50016817 | CAS-137-00-8 | 2-(4-methyl-5-thiazolyl)ethanol | NSC41831 | NSC-41831 | NSC23262 | NSC-23262 | 4-Methyl-5-thiazolethanol | PD007492 | TZE | UNII-3XYV4I47I8 | 5-(Hy

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504750469

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750469

Sorrisi canonici

CC1=C(SC=N1)CCO

IUPAC Name

2-(4-methyl-1,3-thiazol-5-yl)ethanol

InChIKey

BKAWJIRCKVUVED-UHFFFAOYSA-N

INCHI

1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3

Isomeri SMILES

CC1=C(SC=N1)CCO

WGK Germania

3

Peso molecolare

143.21

Beilstein

114249

Reaxy-Rn

114249

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114249&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 4,5-disubstituted thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4,5-disubstituted 1,3-thiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 4 and 5 only.
• External Descriptors: a thiazole

Data sources

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

Obiettivi associati (umani)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

HT-1080 (3966 Activities)

Explore this target

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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Acinetobacter baumannii (41033 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.548-1.551
• Punto di infiammabilità (°F): 233.6 °F
• Punto di infiammabilità (°C): 112 °C
• Punto di ebollizione (°C): 135°C
• Peso molecolare: 143.210 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 143.04 Da
• Monoisotopic Mass: 143.04 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 89.100
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 137-00-8, the molecular formula is C6H9NOS, and the molecular weight is 143.21 g/mol. InChIKey BKAWJIRCKVUVED-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.