Cas no 86163-91-9 (1-Propanol,3-(butylthio)-, 1-acetate)
86163-91-9 structure
Product Name:1-Propanol,3-(butylthio)-, 1-acetate
CAS No:86163-91-9
MF:C9H18O2S
MW:190.303021907806
CID:728945
Update Time:2024-01-31
1-Propanol,3-(butylthio)-, 1-acetate Chemical and Physical Properties
Names and Identifiers
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- 1-Propanol,3-(butylthio)-, 1-acetate
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- Inchi： 1S/C9H18O2S/c1-3-4-7-12-8-5-6-11-9(2)10/h3-8H2,1-2H3
- InChI Key： SVXGRPMOQRUSFN-UHFFFAOYSA-N
- SMILES： C(OC(=O)C)CCSCCCC
Computed Properties
- Exact Mass: 190.103
- Monoisotopic Mass: 190.103
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 115
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 0.978
- Boiling Point: 262.8°C at 760 mmHg
- Flash Point: 110.8°C
- Refractive Index: 1.462
1-Propanol,3-(butylthio)-, 1-acetate Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
86163-91-9 (1-Propanol,3-(butylthio)-, 1-acetate) Related Products
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