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

CAS: 1189466-17-8 Cat. No.: S358153 분자식: C₇HD₄NO₃S 분자량: 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

개요

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

Specifications

동의어

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-

사양 및 순도

≥99%,≥99 atom% D

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%,≥99 atom% D

이름과 식별자

Pubchem Sid

528774506

정식 스마일

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

이성체 SMILES

[2H]C1=C(C(=C2C(=C1[2H])C(=O)NS2(=O)=O)[2H])[2H]

PubChem CID

46782906

분자량

187.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: light sensitive；Moisture sensitive.
• 녹는점(°C): >226° C (dec.)
• 분자량: 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