Cas no 5095-65-8 (4-(4-bromo-3-methylphenyl)-1,3-thiazole)
5095-65-8 structure
Product Name:4-(4-bromo-3-methylphenyl)-1,3-thiazole
CAS No:5095-65-8
MF:C10H8BrNS
MW:254.146220207214
CID:1573355
PubChem ID:5207681
Update Time:2025-04-21
4-(4-bromo-3-methylphenyl)-1,3-thiazole Chemical and Physical Properties
Names and Identifiers
-
- 4-(4-bromo-3-methylphenyl)-1,3-thiazole
- 5095-65-8
- DTXSID40409992
-
- Inchi： 1S/C10H8BrNS/c1-7-4-8(2-3-9(7)11)10-5-13-6-12-10/h2-6H,1H3
- InChI Key： VTVLZFVYOVUKGD-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C2=CSC=N2)C=C1C
Computed Properties
- Exact Mass: 252.95614
- Monoisotopic Mass: 252.956083
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 176
- 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
- Topological Polar Surface Area: 41.1
- XLogP3: 3.7
Experimental Properties
- Density: 1.496
- Boiling Point: 347°C at 760 mmHg
- Flash Point: 163.7°C
- Refractive Index: 1.622
- PSA: 12.89
4-(4-bromo-3-methylphenyl)-1,3-thiazole Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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