Cas no 13001-81-5 ((-)-(4-Methylsulfin-buten-(3)-yl)-isothiocyanat)
13001-81-5 structure
Product Name:(-)-(4-Methylsulfin-buten-(3)-yl)-isothiocyanat
CAS No:13001-81-5
MF:C6H9NOS2
MW:175.271758794785
CID:2043900
Update Time:2026-04-28
(-)-(4-Methylsulfin-buten-(3)-yl)-isothiocyanat Chemical and Physical Properties
Names and Identifiers
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- (-)-(4-Methylsulfin-buten-(3)-yl)-isothiocyanat
- (R)-(4-Isothiocyanato-but-1-en-t-yl)-methylsulfoxyd
- (R)-4t-methanesulfinyl-but-3-enyl isothiocyanate
- (R)-4t-Methansulfinyl-but-3-enylisothiocyanat
- 4-methylsulfinylbut-3-enylisothiocyanate
- Raphanin
- Sulforaphen
-
Computed Properties
- Exact Mass: 175.013
- Monoisotopic Mass: 175.013
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 182
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.7A^2
Experimental Properties
- Color/Form: Slightly yellowish liquid
- Density: 1.16
- Boiling Point: 362.2 °C at 760 mmHg
- Flash Point: 172.8 °C
- Refractive Index: 1.566
- LogP: 2.23720
(-)-(4-Methylsulfin-buten-(3)-yl)-isothiocyanat Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
13001-81-5 ((-)-(4-Methylsulfin-buten-(3)-yl)-isothiocyanat) Related Products
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