Cas no 56190-08-0 (Benzene, 1-bromo-2-(bromomethyl)-4-(methylthio)-)
56190-08-0 structure
Product Name:Benzene, 1-bromo-2-(bromomethyl)-4-(methylthio)-
CAS No:56190-08-0
MF:C8H8Br2S
MW:296.022119522095
CID:349532
PubChem ID:19437135
Update Time:2025-04-19
Benzene, 1-bromo-2-(bromomethyl)-4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-2-(bromomethyl)-4-(methylthio)-
- 1-bromo-2-(bromomethyl)-4-methylsulfanylbenzene
- SCHEMBL9211707
- 1-Bromo-2-(bromomethyl)-4-(methylsulfanyl)benzene
- DTXSID70598823
- 2-bromo-5-(methylthio)benzyl bromide
- LPOLCKSQINTQAU-UHFFFAOYSA-N
- 56190-08-0
-
- Inchi： 1S/C8H8Br2S/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3
- InChI Key： LPOLCKSQINTQAU-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C=C1CBr)SC
Computed Properties
- Exact Mass: 293.87134
- Monoisotopic Mass: 293.87135g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- 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: 3.7
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, 1-bromo-2-(bromomethyl)-4-(methylthio)- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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4. 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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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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