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

CAS: 14542-12-2 Cat. No.: H157271 Formula: C₄H₅NOS Molecular Weight: 115.15 EC Number: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

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 |

Specifications & Purity

≥98%(GC)

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488194003
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194003
• Canonical Smiles: 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
• Isomeric SMILES: C1=CSC(=N1)CO
• Molecular Weight: 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
    • 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 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Boil Point(°C): 76°C/0.2mmHg(lit.)
• Melt Point(°C): 65 °C
• Molecular Weight: 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