Tetrahydro-2H-thiopyran-4-ol - ≥98%(GC) , CAS No.29683-23-6

CAS: 29683-23-6 Cat. No.: T161724 Molecular Weight: 118.19 EC Number: 800-363-2 PubChem CID: 576296

GRADE & PURITY ≥98%(GC)

Synonyms

4-Tetrahydrothiopyranol | AMY37357 | BB 0259519 | Tetrahydrothiopyran-4-ol | 3-hydroxypentamethylene sulfide | DS-1734 | SY019603 | DTXSID40341863 | MFCD02942489 | EN300-211456 | SCHEMBL204179 | T3373 | Tetrahydrothiapyran-4-ol | thian-4-ol | A876402 | J-

Storage

Room temperature

Shipped In

Normal

Overview

application：

Tetrahydrothiopyran-4-ol is a sulfur containing heterocyclic building block. Tetrahydrothiopyran-4-ol can be synthesized from tetrahydrothiopyran-4-one. It participates in the synthesis of 4-hydroxyl-1-methyltetrahydrothiopyranium iodide.

Specifications

Synonyms

4-Tetrahydrothiopyranol | AMY37357 | BB 0259519 | Tetrahydrothiopyran-4-ol | 3-hydroxypentamethylene sulfide | DS-1734 | SY019603 | DTXSID40341863 | MFCD02942489 | EN300-211456 | SCHEMBL204179 | T3373 | Tetrahydrothiapyran-4-ol | thian-4-ol | A876402 | J-

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488190397
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190397
• Canonical Smiles: C1CSCCC1O
• IUPAC Name: thian-4-ol
• InChIKey: YODQQARABJQLIP-UHFFFAOYSA-N
• INCHI: 1S/C5H10OS/c6-5-1-3-7-4-2-5/h5-6H,1-4H2
• Isomeric SMILES: C1CSCCC1O
• WGK Germany: 3
• PubChem CID: 576296
• Molecular Weight: 118.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thianes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thianes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thianes
• Alternative Parents: Secondary alcohols Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiane - Secondary alcohol - Dialkylthioether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one sulfur atom.
• 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): 70 °C/0.05 mmHg
• Melt Point(°C): 47-52℃
• Molecular Weight: 118.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 118.045 Da
• Monoisotopic Mass: 118.045 Da
• Topological Polar Surface Area: 45.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 50.000
• 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