2-(Hydroxymethyl)thiazole - ≥98%(GC) , CAS No.14542-12-2

CAS: 14542-12-2 Cat. No.: H157271 Formule: C₄H₅NOS Poids moléculaire: 115.15 Numéro CE: 696-096-2

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID80383585 | FT-0647582 | thiazol-2-ylmethanol | Thiazol-2-yl-methanol | GEO-02297 | Z57161013 | AB89861 | SCHEMBL167744 | PS-3716 | (thiazol-2-yl)methanol | 2-Thiazolemethanol | A19584 | H1476 | 1,3-Thiazol-2-ylmethanol | 2-(Hydroxymethyl)thiazole |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

DTXSID80383585 | FT-0647582 | thiazol-2-ylmethanol | Thiazol-2-yl-methanol | GEO-02297 | Z57161013 | AB89861 | SCHEMBL167744 | PS-3716 | (thiazol-2-yl)methanol | 2-Thiazolemethanol | A19584 | H1476 | 1,3-Thiazol-2-ylmethanol | 2-(Hydroxymethyl)thiazole |

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488194003
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194003
• Sourires canoniques: C1=CSC(=N1)CO
• IUPAC Name: 1,3-thiazol-2-ylmethanol
• InChIKey: JNHDLNXNYPLBMJ-UHFFFAOYSA-N
• INCHI: 1S/C4H5NOS/c6-3-4-5-1-2-7-4/h1-2,6H,3H2
• Isomères SMILES: C1=CSC(=N1)CO
• Poids moléculaire: 115.15
• Reaxy-Rn: 107722
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107722&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: Thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - 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: Not available

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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive
• Point d'ébullition (°C): 76°C/0.2mmHg(lit.)
• Point de fusion (°C): 65 °C
• Poids moléculaire: 115.160 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 115.009 Da
• Monoisotopic Mass: 115.009 Da
• Topological Polar Surface Area: 61.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 59.700
• 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