所有图片(3)
About This Item
线性分子式:
CH3OCOSCl
CAS号:
分子量:
126.56
Beilstein:
1849908
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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方案
97%
表单
liquid
折射率
n20/D 1.481 (lit.)
沸点
133-134 °C (lit.)
密度
1.399 g/mL at 25 °C (lit.)
储存温度
2-8°C
SMILES字符串
COC(=O)SCl
InChI
1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3
InChI key
TXJXPZVVSLAQOQ-UHFFFAOYSA-N
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一般描述
Methoxycarbonylsulfenyl chloride is a sulfenyl carbonyl compound. Photoinduced fragmentations of methoxycarbonylsulfenyl chloride is investigated in the gaseous phase by using synchrotron radiation and multicoincidence techniques. The molecular structure and conformational properties of methoxycarbonylsulfenyl chloride is studied in the gas and solid phases by gas electron diffraction, low-temperature X-ray diffraction and vibrational spectroscopy. The anomeric and mesomeric effects in methoxycarbonylsulfenyl chloride is reported.
应用
Methoxycarbonylsulfenyl chloride may be used to prepare 3-[(methoxycarbonyl)dithio]-L-alanine, via reaction with L-cysteine. It is suitable for use in the synthesis of 3-2 pyridinyldithio propanoic acid hydrazide (PDPH), an important heterobifunctional crosslinker widely used in bioconjugate techniques for making macromolecule-drug conjugates.
警示用语：
Danger
危险声明
危险分类
Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B
储存分类代码
3 - Flammable liquids
WGK
WGK 3
闪点(°F)
129.2 °F - closed cup
闪点(°C)
54 °C - closed cup
个人防护装备
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
历史批次信息供参考:
分析证书(COA)
Lot/Batch Number
A SIMPLE AND EFFICIENT SYNTHESIS OF 3-2 PYRIDINYLDITHIO PROPANOIC ACID HYDRAZIDE: A HETEROBIFUNCTIONAL CROSSLINKER.
Saxena R and Manjan MJ.
International Journal of Pharmacy and Pharmaceutical Sciences, 4 (2012)
Christian Starkenmann et al.
Journal of agricultural and food chemistry, 59(17), 9457-9465 (2011-08-23)
The L-cysteine derivatives (R)-2-amino-3-(methyldisulfanyl)propanoic acid (S-methylthio-L-cysteine), (R)-2-amino-3-(propyldisulfanyl)propanoic acid (S-propylthio-L-cysteine), (R)-2-amino-3-(1-propenyldisulfanyl)propanoic acid (S-(1-propenylthio)-L-cysteine), and (R)-2-amino-3-(2-propenyldisulfanyl)propanoic acid (S-allylthio-L-cysteine) were prepared from 3-[(methoxycarbonyl)dithio]-L-alanine, obtained from the reaction of L-cysteine with methoxycarbonylsulfenyl chloride. The occurrence of these S-(+)-alk(en)ylthio-L-cysteine derivatives in onion (Allium cepa L.)
IR, Raman and SERS spectra of 2-(methoxycarbonylmethylsulfanyl)-3, 5-dinitrobenzene carboxylic acid.
Raj A, et al.
Journal of the Brazilian Chemical Society, 20(3), 549-559 (2009)
Mauricio F Erben et al.
The journal of physical chemistry. A, 111(33), 8062-8071 (2007-07-31)
Total ion yield spectra and photoinduced fragmentations following S 2p, Cl 2p, and O 1s inner shell excitations of methoxycarbonylsulfenyl chloride, CH(3)OC(O)SCl, have been studied in the gaseous phase by using synchrotron radiation and multicoincidence techniques, which include photoelectron-photoion coincidence
Mauricio F Erben et al.
Inorganic chemistry, 41(5), 1064-1071 (2002-03-05)
The molecular structure and conformational properties of methoxycarbonylsulfenyl chloride, CH(3)OC(O)SCl, were determinated in the gas and solid phases by gas electron diffraction, low-temperature X-ray diffraction, and vibrational spectroscopy. Furthermore, quantum chemical calculations were performed. Experimental and theoretical methods result in
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