Cas no 164581-35-5 ()
structure
Product Name:
CAS No:164581-35-5
MF:C5H10O2S
MW:134.196700572968
CID:6647817
PubChem ID:53691324
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C5H10O2S/c1-4(2-3-8)5(6)7/h4,8H,2-3H2,1H3,(H,6,7)
- InChI Key： BNKHMNMYQOLXCD-UHFFFAOYSA-N
- SMILES： SCCC(C(=O)O)C
Computed Properties
- Exact Mass: 134.04015073g/mol
- Monoisotopic Mass: 134.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 82.5
- 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
- XLogP3: 0.9
- Topological Polar Surface Area: 38.3?2
Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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