Cas no 89165-41-3 (Benzene, 1-bromo-3-(octylthio)-)
89165-41-3 structure
Product Name:Benzene, 1-bromo-3-(octylthio)-
CAS No:89165-41-3
MF:C14H21BrS
MW:301.28554224968
CID:609927
PubChem ID:71322462
Update Time:2025-04-19
Benzene, 1-bromo-3-(octylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-bromo-3-(octylthio)-
- 1-bromo-3-octylsulfanylbenzene
- 1-BROMO-3-(OCTYLSULFANYL)BENZENE
- DTXSID50752143
- A1-05177
- 89165-41-3
- (3-Bromophenyl)(octyl)sulfane
-
- Inchi： 1S/C14H21BrS/c1-2-3-4-5-6-7-11-16-14-10-8-9-13(15)12-14/h8-10,12H,2-7,11H2,1H3
- InChI Key： DRQZBXOAFYUCEU-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)SCCCCCCCC
Computed Properties
- Exact Mass: 300.05473g/mol
- Monoisotopic Mass: 300.05473g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 161
- 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: 6.5
- Topological Polar Surface Area: 25.3?2
Benzene, 1-bromo-3-(octylthio)- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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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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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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