Thiomorpholin-3-one - ≥95% , CAS No.20196-21-8

CAS: 20196-21-8 Cat. No.: T191924 Formule: C₄H₇NOS Poids moléculaire: 117.17 Numéro CE: 243-581-8 PubChem CID: 88402

GRADE & PURITY ≥95%

Synonyms

1,4-Tetrahydrothiazine-3-one | 3-Oxothiomorpholine | Thiomorpholinone | FT-0763363 | InChI=1/C4H7NOS/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6 | F0848-0336 | SMR000211746 | STF 62247 | SCHEMBL89026 | EINECS 243-581-8 | Z337709368 | AKOS000268410 | AS-11256 | MEXORYL

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

1,4-Tetrahydrothiazine-3-one | 3-Oxothiomorpholine | Thiomorpholinone | FT-0763363 | InChI=1/C4H7NOS/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6 | F0848-0336 | SMR000211746 | STF 62247 | SCHEMBL89026 | EINECS 243-581-8 | Z337709368 | AKOS000268410 | AS-11256 | MEXORYL

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

528774026

Sourires canoniques

C1CSCC(=O)N1

IUPAC Name

thiomorpholin-3-one

InChIKey

HBDDRESWUAFAHY-UHFFFAOYSA-N

INCHI

1S/C4H7NOS/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)

Isomères SMILES

C1CSCC(=O)N1

PubChem CID

88402

Poids moléculaire

117.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiazinanes
• Subclass: Thiomorpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiomorpholines
• Alternative Parents: Secondary carboxylic acid amides Lactams Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-thiazinane - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Thioether - Dialkylthioether - Azacycle - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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

Propriétés chimiques et physiques

• Poids moléculaire: 117.170 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 117.025 Da
• Monoisotopic Mass: 117.025 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 83.800
• 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