Cas no 16488-59-8 ()
structure
Product Name:
CAS No:16488-59-8
MF:C5H4I2S
MW:349.959204673767
CID:6647820
PubChem ID:17993052
Update Time:2024-03-02
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C5H4I2S/c1-3-4(6)2-8-5(3)7/h2H,1H3
- InChI Key： HCHKLVWOPOAKCB-UHFFFAOYSA-N
- SMILES： IC1=CSC(=C1C)I
Computed Properties
- Exact Mass: 349.81232g/mol
- Monoisotopic Mass: 349.81232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 86.5
- 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: 28.2?2
Related Literature
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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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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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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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