Cas no 5350-70-9 (1-(benzylsulfanyl)-3-(prop-2-en-1-yloxy)propan-2-ol)
5350-70-9 structure
Product Name:1-(benzylsulfanyl)-3-(prop-2-en-1-yloxy)propan-2-ol
1-(benzylsulfanyl)-3-(prop-2-en-1-yloxy)propan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 1-(benzylsulfanyl)-3-(prop-2-en-1-yloxy)propan-2-ol
- 2-methyl-2,3-diphenylbutanenitrile
- 2-methyl-2,3-diphenyl-butanenitrile
- 2-METHYL-2,3-DIPHENYLBUTYRONITRILE
- DS-004233
- DTXSID60276941
- NSC-56
- NSC56
- 5350-70-9
-
- Inchi： 1S/C17H17N/c1-14(15-9-5-3-6-10-15)17(2,13-18)16-11-7-4-8-12-16/h3-12,14H,1-2H3
- InChI Key： HDPZSJBJWNFNGV-UHFFFAOYSA-N
- SMILES： N#CC(C)(C1C=CC=CC=1)C(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 238.10284
- Monoisotopic Mass: 235.136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 301
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- Density: 1.092
- Boiling Point: 376.7°C at 760 mmHg
- Flash Point: 181.6°C
- Refractive Index: 1.554
- PSA: 29.46
1-(benzylsulfanyl)-3-(prop-2-en-1-yloxy)propan-2-ol Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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