uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07179632B2
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IDENTITY
结构与身份
- 标准SMILES
- C=CCSS(=O)CC=C
- InChIKey
- JDLKFOPOAOFWQN-UHFFFAOYSA-N
- 分子式
- C6H10OS2
- 平均分子量
- 162.3 g/mol
- 单同位素质量
- 162.01730729
COMPUTED
结构计算性质
- XLogP
- 1.3
- 极性表面积
- 61.6 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 5
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 120
PROPERTIES
实验与物化性质
Solubility
24 mg/mL at 10 °C
Melting Point
25 °C
Physical Description
Solid
GHS
GHS分类
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
PHARMACOLOGY
药理信息
Metabolism/Metabolites
DADSO is a known human metabolite of diallyl disulfide.
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Substances which lower blood glucose levels.
Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY.
Cellular Locations
Cytoplasm；Extracellular
ALIASES
名称与别名
Allicin539-86-6Diallyl thiosulfinateThio-2-propene-1-sulfinic acid S-allyl esterAllylthiosulphinic acid allyl ester3-prop-2-enylsulfinylsulfanylprop-1-ene2-Propene-1-sulfinothioic acid S-2-propenyl esterDTXSID60437073C39BY17Y6CHEBI:284113-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene3-((prop-2-ene-1-sulfinyl)sulfanyl)prop-1-eneRefChem:5523DTXCID4023707208-727-7S-allyl prop-2-ene-1-sulfinothioateDiallyldisulfid-S-oxid2-Propene-1-sulfinothioic acid, S-2-propenyl esterC6H10OS2S-Allyl acrylo-1-sulphinothioate
REACTIONS
