Cas no 19076-19-8 (7-bromo-5-methyl-1-benzothiophene)
19076-19-8 structure
Product Name:7-bromo-5-methyl-1-benzothiophene
CAS No:19076-19-8
MF:C9H7BrS
MW:227.120880365372
CID:1384534
PubChem ID:56973332
Update Time:2025-04-20
7-bromo-5-methyl-1-benzothiophene Chemical and Physical Properties
Names and Identifiers
-
- 7-bromo-5-methyl-1-benzothiophene
- 7-bromo-5-methylbenzo[b]thiophene
- ACN-S001350
- 7-Bromo-5-methyl-benzo[b]thiophene
- KB-46191
- KB-46192
- 19076-19-8
- SCHEMBL12135667
- DTXSID60719904
-
- Inchi: 1S/C9H7BrS/c1-6-4-7-2-3-11-9(7)8(10)5-6/h2-5H,1H3
- InChI Key: CAQJWQNFZVDDQZ-UHFFFAOYSA-N
- SMILES: BrC1=CC(C)=CC2C=CSC=21
Computed Properties
- Exact Mass: 225.94518g/mol
- Monoisotopic Mass: 225.94518g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 149
- 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
- Topological Polar Surface Area: 28.2?2
7-bromo-5-methyl-1-benzothiophene Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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