4-(3-Hydroxypropyl)thiomorpholine 1,1-Dioxide - ≥98% , CAS No.205194-33-8

CAS: 205194-33-8 Cat. No.: H157196 Molecular Weight: 193.26

GRADE & PURITY ≥98%

Synonyms

4-Thiomorpholine propanol 1,1-dixoxide | 3-(1,1-dioxothiomorpholino)propan-1-ol | D91004 | HMS1452H15 | H1141 | C7H15NO3S | 1-N-Boc-Piperidine-3-carboxylicacid | VAJSFWFPXNWBLF-UHFFFAOYSA-N | DTXSID00465751 | 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Thiomorpholine propanol 1, 1-dixoxide | 3-(1, 1-dioxothiomorpholino)propan-1-ol | D91004 | HMS1452H15 | H1141 | C7H15NO3S | 1-N-Boc-Piperidine-3-carboxylicacid | VAJSFWFPXNWBLF-UHFFFAOYSA-N | DTXSID00465751 | 3-(1, 1-dioxo-1, 4-thiazinan-4-yl)propan-1-ol |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CS(=O)(=O)CCN1CCCO
• IUPAC Name: 3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
• InChIKey: VAJSFWFPXNWBLF-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO3S/c9-5-1-2-8-3-6-12(10,11)7-4-8/h9H,1-7H2
• Isomeric SMILES: C1CS(=O)(=O)CCN1CCCO
• Molecular Weight: 193.26
• Reaxy-Rn: 11461158
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11461158&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiazinanes
      • Subclass Thiomorpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiazinanes
• Subclass: Thiomorpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiomorpholines
• Alternative Parents: Sulfones 1,3-aminoalcohols Trialkylamines Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-thiazinane - 1,3-aminoalcohol - Sulfone - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Azacycle - Organic oxide - Organic oxygen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiomorpholines. These are heterocyclic compounds containing a thiomorpholine ring, which is a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four 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

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 72 °C
• Molecular Weight: 193.270 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 193.077 Da
• Monoisotopic Mass: 193.077 Da
• Topological Polar Surface Area: 66.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 205.000
• 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