基本情報
- CAS
3696-28-4- 標準SMILES
[O-][n+]1ccccc1SSc1cccc[n+]1[O-]- InChIKey
ZHDBTKPXEJDTTQ-UHFFFAOYSA-N- 分子式
- C10H8N2O2S2
- 平均分子量
- 252.3 g/mol
- 単同位体質量
- 252.00271985
概要
Dipyrithione is a pyridinium ion.
名称と識別子
- 優先名称
- Dipyrithione
- IUPAC
- 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium
- 現地名
- ジピリチオン
- 英語名
- Bispyrithione
- 分子式
- C10H8N2O2S2
- 分子量
- 252.31
名称と別名
dipyrithione3696-28-4BispyrithioneOmadine disulfideOMDSDipiritionapyrithione disulfideDipyrithionumPyrithione disulphide1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-iumDTXSID1041897Pyridine, 2,2'-dithiobis-, 1,1'-dioxide
名称をさらに表示
ビス[[ピリジン1-オキシド]-2-イル]ペルスルフィド(2,2'-ジチオジピリジン)1,1'-ジオキシドジピリチオン2,2'-ジチオビス(ピリジン1-オキシド)2,2'-ジチオビス(ピリジン-1-オキシド)ビス（1-オキシ-2-ピリジル）ジスルフイド2,2'-ジチオビス(ピリジン-N-オキシド)(2,2′-ジチオジピリジン)1,1′-ジオキシド2-[(1-オキシドピリジン-1-イウム-2-イル)ジスルファニル]ピリジン-1-イウム-1-オラート2,2′-ジチオビス(ピリジン-1-オキシド)2,2′-ジチオビス(ピリジン1-オキシド)osy20omadinedsNSC 84740NSC 241716NSC 677437ipyrithioneomadinedisulfide
NSC-84740NSC-2417162,2'-Dithiobis(pyridine 1,1'-dioxide)9L87N86R9ADTXCID90218971-oxido-2-((1-oxidopyridin-1-ium-2-yl)disulfanyl)pyridin-1-iumRefChem:589111dipyrithione magnesium sulfate
物性
構造計算による物性
- XLogP
- 0.6
- 極性表面積
- 102 Ų
- 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
- 3
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 199
実験および物理化学的性質
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Antibiotics
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
物理化学的性質
- 融点
- 200.5 °C · 200.5°C (rough estimate)
- 沸点
- 582.8 · 582.8±25.0 °C(Predicted)
- 比重(密度)
- 1.4423 · 1.4423 (rough estimate)
- 屈折率
- 1.565 · 1.5650 (estimate)
- 溶解性
- Methanol (Slightly), Water (Slightly, Heated, Sonicated)
- 外見
- solid
- 酸解離定数(Pka)
- -0.77 · -0.77±0.10(Predicted)
- 色
- Gray or off-white paste
- PH
- 5 · 5.0-7.0(25°C,1%soln.)
- 安定性
- Hygroscopic
- 化粧品成分の機能
- 抗菌剤
- InChI
- InChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H
- InChIKey
- ZHDBTKPXEJDTTQ-UHFFFAOYSA-N
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 34.9% (37 of 106) of reports.
Warning
H302 (63.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Pyridine, 2,2'-dithiobis-, 1,1'-dioxide
Pyridine, 2,2'-dithiobis-, 1,1'-dioxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 4 (63.2%)
安全データ
- tsca
- TSCA listed
- hs_code
- 2933399990
化学と産業
薬理情報
PharmacodynamicsThis drug decreases or eliminates dandruff from the scalp, which is caused by various types of fungi.,
Mechanism of ActionThis drug is a fungicidal agent. Fungicide, also called antimycotic, any toxic substance used to kill or inhibit the growth of fungi.
用途と製造
General Manufacturing InformationPyridine, 2,2'-dithiobis-, 1,1'-dioxide: ACTIVE
応用分野
説明Bispyrithione is a pyrithione derivate used as bactericide and fungicide. The drug was marketed under the name Crimanex in the form of shampoo for the treatment of dandruff, however it is no longer available on the manufacturer website (Drossa Pharm . It is currently used as a pesticide.
使用Bispyrithione can be used as an antibacterial; antifungal.
上流・下流製品情報
上流原料
下流製品
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