ビス(チオベンゾイル)ジスルフィド

Bis(thiobenzoyl) Disulfide

HCID 10902862

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5873-93-8
標準SMILES: S=C(SSC(=S)c1ccccc1)c1ccccc1
InChIKey: LWGLGSPYKZTZBM-UHFFFAOYSA-N
分子式: C14H10S4
平均分子量: 306.5 g/mol
単同位体質量: 305.96653432

名称と識別子

優先名称: Bis(thiobenzoyl) Disulfide
IUPAC: benzenecarbonothioylsulfanyl benzenecarbodithioate
現地名: ビス(チオベンゾイル)ジスルフィド
英語名: Diphenyldithioperoxyanhydride
分子式: C14H10S4
分子量: 306.49

名称と別名

bis(thiobenzoyl) disulfideRefChem:569292687-393-8Diphenyldithioperoxyanhydride5873-93-8Benzothioic dithioperoxyanhydrideMFCD12911774benzenecarbonothioylsulfanyl benzenecarbodithioatebis(thiobenzoyl)disulfidedi(thiobenzoyl) Disulfidethiobenzoyl disulfidedithiobenzoyl disulfide

名称をさらに表示

ビス(チオベンゾイル)ジスルフィドDisulfide, bis(thiobenzoyl)Bis(phenylthiocarbonyl) DisulfideDisulfide,bis(phenylthioxomethyl)Bis(phenylthioxometh?yl) disulfideBis(thiobenzoyl) disulfide >90% (HPLC)Di(thiobenzoyl) disulfide Disulfide,bis(phenylthioxomethyl)bis(Thiobenzoyl) disulfide@1000 μg/mL in Hexane:Toluene (80:20)

Dithiobenzoyl disulphidedi(thiobenzoyl)disulfideSCHEMBL176121Bis(phenylthioxomethyl)disulfideLWGLGSPYKZTZBM-UHFFFAOYSA-NDTXSID601337694AKOS005174062Bis(thiobenzoyl) disulfide, >95% (HPLC)

データベース識別子

CAS: 5873-93-8
PubChem CID: 10902862
DTXSID: DTXSID601337694
EC Number: 687-393-8
Nikkaji: J1.031.810F

物性

構造計算による物性

XLogP: 5
極性表面積: 115 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 18
形式電荷: 0
複雑度: 258

物理化学的性質

融点: 94 · 94-96°C
沸点: 446.8 · 446.8±28.0 °C(Predicted)
比重(密度): 1.367 · 1.367±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: 個体
InChI: 1S/C14H10S4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H
InChIKey: LWGLGSPYKZTZBM-UHFFFAOYSA-N
SMILES: S=C(SSC(=S)c1ccccc1)c2ccccc2

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.