Cas no 58443-71-3 (S-PHENYL THIOISOBUTYRATE))
S-PHENYL THIOISOBUTYRATE) structure
Product Name:S-PHENYL THIOISOBUTYRATE)
CAS No:58443-71-3
MF:C10H12OS
MW:180.266681671143
CID:948524
PubChem ID:11105960
Update Time:2025-04-19
S-PHENYL THIOISOBUTYRATE) Chemical and Physical Properties
Names and Identifiers
-
- S-phenyl 2-methylpropanethioate
- DTXSID90455363
- 2-METHYL-1-(PHENYLSULFANYL)PROPAN-1-ONE
- S-PHENYL THIOISOBUTYRATE)
- SCHEMBL10380877
- 58443-71-3
- QBSNMPRRAPQQJL-UHFFFAOYSA-N
- S-Phenyl Isobutanethioate
- S-Phenyl thioisobutyrate
-
- Inchi： 1S/C10H12OS/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-8H,1-2H3
- InChI Key： QBSNMPRRAPQQJL-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C(C(C)C)=O
Computed Properties
- Exact Mass: 180.06096
- Monoisotopic Mass: 180.06088618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 148
- 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
- XLogP3: 3.3
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- Density: 1.056 g/mL at 25 °C(lit.)
- PSA: 17.07
S-PHENYL THIOISOBUTYRATE) Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
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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