Benfuracarb solution - analytical standard, 10μg/ml in acetone,u=4% , CAS No.82560-54-1

CAS: 82560-54-1 Cat. No.: B114496 分子式: C₂₀H₃₀N₂O₅S 分子量: 410.53 EC番号: 617-356-3

GRADE & PURITY Analytical standard, 10μg/ml in acetone,u=4%

Synonyms

Benfuracarb|82560-54-1|Aminofuracarb|Furacon|Oncol|OC-11588|CHEBI:3014|DTXSID2041622|807671FRZY|8-Oxa-3-thia-2,4-diazadecanoic acid, 2-methyl-4-(1-methylethyl)-7-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester|Oncol 5G|Caswell No. 349C|Aminosulfulan;

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

同義語

Benfuracarb | 82560-54-1 | Aminofuracarb | Furacon | Oncol | OC-11588 | CHEBI:3014 | DTXSID2041622 | 807671FRZY | 8-Oxa-3-thia-2,4-diazadecanoic acid, 2-methyl-4-(1-methylethyl)-7-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester | Oncol 5G | Caswell No. 349C | Aminosulfulan;

仕様と純度

analytical standard, 10μg/ml in acetone,u=4%

保管条件

Protected from light,Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

パブケム・シド

528769237

カノニカル・スマイル

CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

IUPAC Name

ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate

InChIKey

FYZBOYWSHKHDMT-UHFFFAOYSA-N

INCHI

1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3

異性体SMILES

CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

WGKドイツ

3

RTECS

AY5088000

UN番号

2810

分子量

410.53

Reaxy-Rn

8347990

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8347990&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Coumarans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Coumarans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarans
• Alternative Parents: Alkyl aryl ethers Benzenoids Organic carbonic acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Alkyl aryl ether - Benzenoid - Carboxylic acid ester - Carbonic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
• External Descriptors: Carbamate insecticides

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

関連ターゲット（非人間）

Cheumatopsyche (45 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.
• 引火点（°F）: >100 °C
• 引火点（°C）: >100°C
• 分子量: 410.500 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 410.188 Da
• Monoisotopic Mass: 410.188 Da
• Topological Polar Surface Area: 93.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 543.000
• 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