Cas no 77859-39-3 (2-BROMO-4-PHENOXYBENZOTHIAZOLE)
77859-39-3 structure
Product Name:2-BROMO-4-PHENOXYBENZOTHIAZOLE
CAS No:77859-39-3
MF:C13H8BrNOS
MW:306.17772102356
CID:1789507
PubChem ID:13097083
Update Time:2025-04-21
2-BROMO-4-PHENOXYBENZOTHIAZOLE Chemical and Physical Properties
Names and Identifiers
-
- 2-BROMO-4-PHENOXYBENZOTHIAZOLE
- SCHEMBL11104210
- 77859-39-3
- SZSSTDQKVDHLIU-UHFFFAOYSA-N
-
- Inchi： 1S/C13H8BrNOS/c14-13-15-12-10(7-4-8-11(12)17-13)16-9-5-2-1-3-6-9/h1-8H
- InChI Key： SZSSTDQKVDHLIU-UHFFFAOYSA-N
- SMILES： BrC1=NC2=C(C=CC=C2OC2C=CC=CC=2)S1
Computed Properties
- Exact Mass: 304.95100g/mol
- Monoisotopic Mass: 304.95100g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 260
- 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: 4.9
- Topological Polar Surface Area: 50.4?2
2-BROMO-4-PHENOXYBENZOTHIAZOLE Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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