Cas no 1019115-44-6 (2-BROMO-4,7-DIMETHYLBENZOTHIAZOLE)
1019115-44-6 structure
Product Name:2-BROMO-4,7-DIMETHYLBENZOTHIAZOLE
CAS No:1019115-44-6
MF:C9H8BrNS
MW:242.135519981384
CID:855132
PubChem ID:83843343
Update Time:2025-04-19
2-BROMO-4,7-DIMETHYLBENZOTHIAZOLE Chemical and Physical Properties
Names and Identifiers
-
- 2-BROMO-4,7-DIMETHYLBENZOTHIAZOLE
- 2-bromo-4,7-dimethybenzothiazole
- 1019115-44-6
- 2-Bromo-4,7-dimethylbenzo[d]thiazole
- 2-BROMO-4,7-DIMETHYL-1,3-BENZOTHIAZOLE
- 2-Bromo-4,7-dimethybenzo[d]thiazole, 97%
-
- Inchi： 1S/C9H8BrNS/c1-5-3-4-6(2)8-7(5)11-9(10)12-8/h3-4H,1-2H3
- InChI Key： OMCQXYRXLFOIDF-UHFFFAOYSA-N
- SMILES： BrC1=NC2C(C)=CC=C(C)C=2S1
Computed Properties
- Exact Mass: 240.95600
- Monoisotopic Mass: 240.95608g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- 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
- XLogP3: 4.1
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 41.13000
- LogP: 3.67560
2-BROMO-4,7-DIMETHYLBENZOTHIAZOLE Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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