Cas no 61405-49-0 (Benzene, 2-bromo-1-methyl-4-(phenylthio)-)
61405-49-0 structure
Product Name:Benzene, 2-bromo-1-methyl-4-(phenylthio)-
CAS No:61405-49-0
MF:C13H11BrS
MW:279.195441484451
CID:480619
PubChem ID:22761245
Update Time:2025-04-19
Benzene, 2-bromo-1-methyl-4-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 2-bromo-1-methyl-4-(phenylthio)-
- 2-bromo-1-methyl-4-phenylsulfanylbenzene
- 2-Bromo-1-methyl-4-(phenylsulfanyl)benzene
- DTXSID90628191
- SCHEMBL11662078
- 61405-49-0
-
- Inchi： 1S/C13H11BrS/c1-10-7-8-12(9-13(10)14)15-11-5-3-2-4-6-11/h2-9H,1H3
- InChI Key： AZLKIKQMIPCZTG-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=CC=1C)SC1C=CC=CC=1
Computed Properties
- Exact Mass: 277.97653
- Monoisotopic Mass: 277.97648g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 189
- 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: 5
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, 2-bromo-1-methyl-4-(phenylthio)- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
61405-49-0 (Benzene, 2-bromo-1-methyl-4-(phenylthio)-) Related Products
- 3699-01-2(4-Methyldiphenyl Sulfide)
- 623-13-2(Methyl p-tolyl sulfide)
- 13865-48-0(Benzene,1-methyl-3-(phenylthio)-)
- 67278-51-7(1,1':3',1''-Terphenyl, 4,4''-bis(phenylthio)-5'-[4-(phenylthio)phenyl]-)
- 2828-65-1(Benzene,1,2-dimethyl-4-(phenylthio)-)
- 135-58-0(Mesulfen)
- 33667-80-0(2,4,6-Trimethyldiphenyl sulfide)
- 13963-35-4(2-Methyl Diphenyl Sulfide)
- 4886-77-5(3-Methylthioanisole)
- 16704-47-5(2,4-Dimethyl-1-(phenylthio)benzene)
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