Cas no 98464-63-2 (Benzene,1,2,5-trichloro-3-(methylthio)-)
98464-63-2 structure
Product Name:Benzene,1,2,5-trichloro-3-(methylthio)-
CAS No:98464-63-2
MF:C7H5Cl3S
MW:227.538597822189
CID:814286
PubChem ID:179054
Update Time:2025-04-19
Benzene,1,2,5-trichloro-3-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,2,5-trichloro-3-(methylthio)-
- 1,2,5-trichloro-3-methylsulfanylbenzene
- 2,3,5-trichlorophenyl methyl sulfide
- Benzene, 1,2,5-trichloro-3-(methylthio)-
- SCHEMBL23434929
- DTXSID10243582
- 98464-63-2
-
- Inchi： 1S/C7H5Cl3S/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,1H3
- InChI Key： LXXQGAIMVUXFLF-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(=CC=1SC)Cl)Cl
Computed Properties
- Exact Mass: 225.917754g/mol
- Monoisotopic Mass: 225.917754g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 131
- 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: 4.3
- Topological Polar Surface Area: 25.3?2
Benzene,1,2,5-trichloro-3-(methylthio)- Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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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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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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