Thiazole - ≥99% , CAS No.288-47-1

CAS: 288-47-1 Cat. No.: T122421 Molecular Weight: 85.13 Beilstein Registry Number: 103852 EC Number: 206-021-3 PubChem CID: 9256

GRADE & PURITY ≥99%

Synonyms

320RCW8PEF | LOM | Thiazole, >=99% | CCRIS 3205 | FEMA No. 3615 | AKOS005146301 | BRN 0103852 | Thiazole, 99% | UNII-320RCW8PEF | CB7853436 | 1,3-Thiazole | 5H-1,3-thiazole | 1,3-Thiazole # | STL372725 | CHEBI:43732 | InChI=1/C3H3NS/c1-2-5-3-4-1/h1-3 | Q4

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Naturally occurring compound in sesame seed oil and chicken

Specifications

Synonyms

320RCW8PEF | LOM | Thiazole, >=99% | CCRIS 3205 | FEMA No. 3615 | AKOS005146301 | BRN 0103852 | Thiazole, 99% | UNII-320RCW8PEF | CB7853436 | 1, 3-Thiazole | 5H-1, 3-thiazole | 1, 3-Thiazole # | STL372725 | CHEBI:43732 | InChI=1/C3H3NS/c1-2-5-3-4-1/h1-3 | Q4

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180956
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180956
• Canonical Smiles: C1=CSC=N1
• IUPAC Name: 1,3-thiazole
• InChIKey: FZWLAAWBMGSTSO-UHFFFAOYSA-N
• INCHI: 1S/C3H3NS/c1-2-5-3-4-1/h1-3H
• Isomeric SMILES: C1=CSC=N1
• WGK Germany: 3
• RTECS: XJ1290000
• PubChem CID: 9256
• UN Number: 1993
• Packing Group: I
• Molecular Weight: 85.13
• Beilstein: 103852
• Reaxy-Rn: 103852

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.
• External Descriptors: 1,3-thiazole - mancude organic heteromonocyclic parent - monocyclic heteroarene

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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

TBXAS1 Tchem Thromboxane-A synthase (3355 Activities)

Discover Target: TBXAS1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in water；Soluble in ethanol and ether
• Sensitivity: Air & Light Sensitive
• Refractive Index: n20/D 1.538 (lit.)
• Flash Point(°F): 71.6 °F
• Flash Point(°C): 22 °C
• Boil Point(°C): 117-118 °C (lit.)
• Melt Point(°C): -33°C
• Molecular Weight: 85.130 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 84.9986 Da
• Monoisotopic Mass: 84.9986 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 30.100
• 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

References

1. Tong Zhou, Xue Xia, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2023)  Promotion or Inhibition Effects of Exogenous Glutathione-Degraded Amino Acids on the Formation of 2,3-Butanedione and Pyrazines via Varied Pathways of Interaction with α-Dicarbonyl Compounds Derived from N-(1-Deoxy-d-xylulos-1-yl)-alanine.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:37737140] [10.1021/acs.jafc.3c04424]

2. Hu Wang, Jun Tang, Juan Xie.  (2023)  Corrosion Inhibition of N80 Steel with the Presence of Asymmetric Gemini in a CO2-saturated Brine Solution.  International Journal of Electrochemical Science,      [PMID:] [10.20964/2017.11.58]

3. Tong Zhou, Xue Xia, Heping Cui, Yun Zhai, Foxin Zhang, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2023)  Cysteine-Induced pH-Dependent Formation of Thiols and Sulfides or 2-Acetylthiazole and Pyrazines during Thermal Treatment of N-(1-Deoxy-d-xylulos-1-yl)-alanine.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36696632] [10.1021/acs.jafc.2c08360]

4. Tong Zhou, Xue Xia, Heping Cui, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2022)  Competitive Formation of 2,3-Butanedione and Pyrazines through Intervention of Added Cysteine during Thermal Processing of Alanine-Xylose Amadori Compounds.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36444759] [10.1021/acs.jafc.2c07026]

5. Linhui Feng, Heping Cui, Pusen Chen, Khizar Hayat, Xiaoming Zhang, Chi-Tang Ho.  (2022)  Promoted Formation of Pyrazines and Sulfur-Containing Volatile Compounds through Interaction of Extra-Added Glutathione or Its Constituent Amino Acids and Secondary Products of Thermally Degraded N-(1-Deoxy-d-ribulos-1-yl)-Glutathione.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:35838405] [10.1021/acs.jafc.2c02949]

6. Pei Yu, Yini Yang, Jinyuan Sun, Xiao Jia, Chang Zheng, Qi Zhou, Fenghong Huang.  (2021)  Identification of volatile sulfur-containing compounds and the precursor of dimethyl sulfide in cold-pressed rapeseed oil by GC–SCD and UPLC–MS/MS.  FOOD CHEMISTRY,      [PMID:34399272] [10.1016/j.foodchem.2021.130741]