Saccharin-d4 - ≥99%,≥99 atom% D , CAS No.1189466-17-8

CAS: 1189466-17-8 Cat. No.: S358153 Summenformel: C₇HD₄NO₃S Molekulargewicht: 187.21 PubChem CID: 46782906

GRADE & PURITY ≥99%,≥99 atom% D

Synonyms

1,2-Dihydro-2-ketobenzisosulfonazole-d4 | (4,5,6,7-~2~H_4_)-1H-1lambda~6~,2-Benzothiazole-1,1,3(2H)-trione | DTXSID50676138 | 4,5,6,7-tetradeuterio-1,1-dioxo-1,2-benzothiazol-3-one | Saccharin-d4 | 2,3-dihydro(4,5,6,7-?H?)-1 | F91301 | E?,2-benzothiazole-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Saccharin-d4 is the deuterium labeled Saccharin. Saccharin has bacteriostatic and microbiome-modulating properties.

Specifications

Synonyme

1,2-Dihydro-2-ketobenzisosulfonazole-d4 | (4,5,6,7-~2~H_4_)-1H-1lambda~6~,2-Benzothiazole-1,1,3(2H)-trione | DTXSID50676138 | 4,5,6,7-tetradeuterio-1,1-dioxo-1,2-benzothiazol-3-one | Saccharin-d4 | 2,3-dihydro(4,5,6,7-?H?)-1 | F91301 | E?,2-benzothiazole-

Spezifikationen & Reinheit

≥99%,≥99 atom% D

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%,≥99 atom% D

Namen und Kennungen

• Pubchem Sid: 528774506
• Kanonisches Lächeln: C1=CC=C2C(=C1)C(=O)NS2(=O)=O
• IUPAC Name: 4,5,6,7-tetradeuterio-1,1-dioxo-1,2-benzothiazol-3-one
• InChIKey: CVHZOJJKTDOEJC-RHQRLBAQSA-N
• INCHI: 1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)/i1D,2D,3D,4D
• Isomere SMILES: [2H]C1=C(C(=C2C(=C1[2H])C(=O)NS2(=O)=O)[2H])[2H]
• PubChem CID: 46782906
• Molekulargewicht: 187.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Benzenoids Organosulfonic acids and derivatives Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2-benzothiazole - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive；Moisture sensitive.
• Schmelzpunkt (°C): >226° C (dec.)
• Molekulargewicht: 187.210 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 187.024 Da
• Monoisotopic Mass: 187.024 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 303.000
• Isotope Atom Count: 4
• 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