Dibenzyl sulfide - ≥99% , CAS No.538-74-9

CAS: 538-74-9 Cat. No.: D100593 分子式: C₁₄H₁₄S 分子量: 214.33 Beilstein Registry Number: 1911157 EC番号: 208-703-6

GRADE & PURITY ≥99%

Synonyms

DTXSID6024599 | Benzene,1'-[thiobis(methylene)]bis- | DTXCID704599 | EINECS 208-703-6 | CAS-538-74-9 | Dibenzyl thioether | FT-0624646 | SULFIDE,DIBENZYL | Sulfide, dibenzyl | Sulfide, dibenzyl- | UNII-Q08048624M | B0440 | Dibenzyl sulphide | AI3-00842 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

Sulfur K-edge XANES spectra of dibenzyl sulfide has been measured. Adsorption modes of dibenzyl disulphide on bare and iron-coated silver in 0.5M HCl was studied by surface-enhanced Raman scattering (SERS) spectroscopy. Dibenzyl sulfide undergoes oxidation to dibenzyl sulfoxide by SiO2-HNO3/KBr.

Specifications

同義語

DTXSID6024599 | Benzene,1'-[thiobis(methylene)]bis- | DTXCID704599 | EINECS 208-703-6 | CAS-538-74-9 | Dibenzyl thioether | FT-0624646 | SULFIDE,DIBENZYL | Sulfide, dibenzyl | Sulfide, dibenzyl- | UNII-Q08048624M | B0440 | Dibenzyl sulphide | AI3-00842 |

仕様と純度

≥99%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

名前と識別子

• パブケム・シド: 508812279
• カノニカル・スマイル: C1=CC=C(C=C1)CSCC2=CC=CC=C2
• IUPAC Name: benzylsulfanylmethylbenzene
• InChIKey: LUFPJJNWMYZRQE-UHFFFAOYSA-N
• INCHI: 1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• 異性体SMILES: C1=CC=C(C=C1)CSCC2=CC=CC=C2
• WGKドイツ: 2
• RTECS: DC0512500
• UN番号: 3335
• 分子量: 214.33
• Beilstein: 1911157
• Reaxy-Rn: 1911157
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911157&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Sulfenyl compounds Dialkylthioethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

関連ターゲット（人間）

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

関連ターゲット（非人間）

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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: air sensitive
• 引火点（°F）: 230°F
• 引火点（°C）: 113 °C
• 沸点（°C）: 131 °C/2mmHg(lit.)
• 融点（°C）: 49°C
• 分子量: 214.330 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 214.082 Da
• Monoisotopic Mass: 214.082 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 137.000
• 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