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

CAS: 205194-33-8 Cat. No.: H157196 Summenformel: C₇H₁₅NO₃S Molekulargewicht: 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

Synonyme

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 |

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528759681

Kanonisches Lächeln

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

Isomere SMILES

C1CS(=O)(=O)CCN1CCCO

Molekulargewicht

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
    • Klasse Thiazinanes
      • Subclass Thiomorpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 72 °C
• Molekulargewicht: 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