4-Hydroxymethylthiazole - ≥97% , CAS No.7036-04-6

CAS: 7036-04-6 Cat. No.: H589943 Formula: C₄H₅NOS Peso molecolare: 115.15 Numero EC: 672-899-3

GRADE & PURITY ≥97%

Synonyms

DTXSID80376816 | F2173-0020 | W-204304 | 1,3-thiazol-4-ylmethanol | AC-7853 | 4-(Hydroxymethyl)thiazole | MFCD04115728 | 4-(hydroxymethyl)thiazole, AldrichCPR | 4-thiazolylmethanol | WQVOUANKVCYEIQ-UHFFFAOYSA-N | (4-thiazolyl)methanol | 4-THIAZOLEMETHANOL

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

DTXSID80376816 | F2173-0020 | W-204304 | 1,3-thiazol-4-ylmethanol | AC-7853 | 4-(Hydroxymethyl)thiazole | MFCD04115728 | 4-(hydroxymethyl)thiazole, AldrichCPR | 4-thiazolylmethanol | WQVOUANKVCYEIQ-UHFFFAOYSA-N | (4-thiazolyl)methanol | 4-THIAZOLEMETHANOL

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Desiccated

Spedito in

Wet ice

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

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: C1=C(N=CS1)CO
• IUPAC Name: 1,3-thiazol-4-ylmethanol
• InChIKey: WQVOUANKVCYEIQ-UHFFFAOYSA-N
• INCHI: 1S/C4H5NOS/c6-1-4-2-7-3-5-4/h2-3,6H,1H2
• Isomeri SMILES: C1=C(N=CS1)CO
• CAS alternativo: 7036-04-6
• Peso molecolare: 115.15
• Reaxy-Rn: 107742
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107742&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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