Cas no 22754-61-6 (2-bromo-1-methylbenzo[e][1]benzothiole)
![2-bromo-1-methylbenzo[e][1]benzothiole structure](https://ossimg.kuujia.com/scimg/23000/22754-61-6x500.png)
22754-61-6 structure
Product Name:2-bromo-1-methylbenzo[e][1]benzothiole
CAS No:22754-61-6
MF:C13H9BrS
MW:277.179561376572
CID:912458
PubChem ID:331615
Update Time:2025-04-19
2-bromo-1-methylbenzo[e][1]benzothiole Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-1-methylbenzo[e][1]benzothiole
- NSC325327
- 22754-61-6
- DTXSID60318057
- NSC-325327
-
- Inchi： 1S/C13H9BrS/c1-8-12-10-5-3-2-4-9(10)6-7-11(12)15-13(8)14/h2-7H,1H3
- InChI Key： KARVZXBDXHAOGH-UHFFFAOYSA-N
- SMILES： BrC1=C(C)C2=C(C=CC3C=CC=CC2=3)S1
Computed Properties
- Exact Mass: 275.96087
- Monoisotopic Mass: 275.961
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 243
- 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: 5.6
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- Density: 1.543
- Boiling Point: 406.2°C at 760 mmHg
- Flash Point: 199.5°C
- Refractive Index: 1.745
- PSA: 0
- LogP: 5.12540
2-bromo-1-methylbenzo[e][1]benzothiole Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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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