Cas no 85099-04-3 (1,2-Propanediol,3-(butylthio)-)
85099-04-3 structure
Product Name:1,2-Propanediol,3-(butylthio)-
CAS No:85099-04-3
MF:C7H16O2S
MW:164.265741348267
CID:726713
Update Time:2024-01-31
1,2-Propanediol,3-(butylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Propanediol,3-(butylthio)-
- 3-(butylthio)propane-1,2-diol
- 3-butylsulfanylpropane-1,2-diol
- 3-(Butylthio)-1,2-propanediol
- Einecs 285-457-6
-
- Inchi： 1S/C7H16O2S/c1-2-3-4-10-6-7(9)5-8/h7-9H,2-6H2,1H3
- InChI Key： GXPOMGCOBZJZAW-UHFFFAOYSA-N
- SMILES： C(O)C(O)CSCCCC
Computed Properties
- Exact Mass: 164.087
- Monoisotopic Mass: 164.087
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 68.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.07
- Boiling Point: 299.1°C at 760 mmHg
- Flash Point: 145.8°C
- Refractive Index: 1.504
1,2-Propanediol,3-(butylthio)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
85099-04-3 (1,2-Propanediol,3-(butylthio)-) Related Products
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