Cas no 64041-96-9 (Propanoic acid, 2-[(1,1-dimethylpropyl)thio]-)
![Propanoic acid, 2-[(1,1-dimethylpropyl)thio]- structure](https://ossimg.kuujia.com/scimg/64500/64041-96-9x500.png)
64041-96-9 structure
Product Name:Propanoic acid, 2-[(1,1-dimethylpropyl)thio]-
CAS No:64041-96-9
MF:C8H16O2S
MW:176.276441574097
CID:1664909
Update Time:2024-08-30
Propanoic acid, 2-[(1,1-dimethylpropyl)thio]- Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid, 2-[(1,1-dimethylpropyl)thio]-
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- Inchi： 1S/C8H16O2S/c1-5-8(3,4)11-6(2)7(9)10/h6H,5H2,1-4H3,(H,9,10)
- InChI Key： YXPRGQUFBFLIFQ-UHFFFAOYSA-N
- SMILES： C(O)(=O)C(SC(C)(C)CC)C
Computed Properties
- Exact Mass: 176.08718
Experimental Properties
- Density: 1.039±0.06 g/cm3(Predicted)
- Boiling Point: 260.3±23.0 °C(Predicted)
- PSA: 37.3
- pka: 3.96±0.10(Predicted)
Propanoic acid, 2-[(1,1-dimethylpropyl)thio]- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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