5-(4-Methoxyphenyl)-3H-1,2-Dithiole-3-Thione 茴三硫
CAS 532-11-6 MFCD00129751
化学结构图
SMILES: COc1ccc(-c2cc(=S)ss2)cc1
化学属性
| Mol. Formula | C10H8OS3 |
|---|---|
| Mol. Weight | 240.35 g/mol |
| Density | 0.9875 |
| Refractive index | 1.559-1.562 |
| Flash Point | 90 ºC |
| Melting Point | 23 ºC |
| Boiling Point | 234-237 ºC |
| Solubility | 难溶 |
别名和识别编码
| Chemical Name | 5-(4-Methoxyphenyl)-3H-1,2-Dithiole-3-Thione |
|---|---|
| CAS Number | 532-11-6 |
| Alfabeta Name | ANETHOLETRITHIONE |
| MDL Number | MFCD00129751 |
| Synonym | (E) anethole (E)-1-(4-Methoxyphenyl)propene (E)-1-p-Methoxyphenylpropene (E)-1-Methoxy-4-propenyl-benzene (E)-Anethol (E)-Anethole 1-Methoxy-4-(prop-1(trans)-enyl)benzol 1-Methoxy-4-[(1E)-1-propenyl]benzene 1-Methoxy-4-propenylbenzol 3-(p-Methoxyphenyl)trithione 3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)- 4-trans-propenyl-anisole 5-(4-Methoxyphenyl)-3H-1,2-dithiole-3-thione 5-(p-Methoxyphenyl)-1,2-dithiocyclopenten-3-thione 5-(p-Methoxyphenyl)-3H-1,2-dithiole-3-thione trans-1-(4-Methoxyphenyl)-1-propene trans-1-(p-Methoxyphenyl)propene trans-1-p-Anisylpropene trans-1-Methoxy-4-(prop-1-en-1-yl)benzene trans-4-(1-Propenyl)aniso |
| EC Number | 224-052-0 |
| Beilstein Registry Number | 0158393 |
| Chemical Name Translation | 茴三硫 |
| Wiswesser Line Notation | T5SSYTJ CUS ER DO1 |
| LabNetwork Molecule ID | LN00174989 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment
相关文献及参考
- [2]. Sheng Huang, et al. Synthesis, Characterization, and In Vivo Evaluation of Desmethyl Anethole Trithione Phosphate Prodrug for Ameliorating Cerebral Ischemia-Reperfusion Injury in Rats. ACS Omega. 2020 Feb 24;5(9):4595-4602.
- [3]. Y Ukai, et al. Chronic anethole trithione treatment enhances the salivary secretion and increases the muscarinic acetylcholine receptors in the rat submaxillary gland. Arch Int Pharmacodyn Ther. 1984 Oct;271(2):206-12.
- Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated com
安全信息
GHS Symbol
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IYKEDH Iyakuhin Kenkyu. Study of Medical Supplies. (Nippon Koteisho Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1970- Volume(issue)/page/year: 25,815,1994
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 6 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,25,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 35 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,244,1954
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1480 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,38,1990
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION
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