Cas no 87707-34-4 (7(4H)-Benzothiazolone, 5,6-dihydro-6,6-dimethyl-)
87707-34-4 structure
Product Name:7(4H)-Benzothiazolone, 5,6-dihydro-6,6-dimethyl-
CAS No:87707-34-4
MF:C9H11NOS
MW:181.254740953445
CID:653213
PubChem ID:71412301
Update Time:2025-04-19
7(4H)-Benzothiazolone, 5,6-dihydro-6,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 7(4H)-Benzothiazolone, 5,6-dihydro-6,6-dimethyl-
- 6,6-dimethyl-4,5-dihydro-1,3-benzothiazol-7-one
- 6,6-Dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one
- 87707-34-4
- DTXSID30831864
-
- Inchi： 1S/C9H11NOS/c1-9(2)4-3-6-7(8(9)11)12-5-10-6/h5H,3-4H2,1-2H3
- InChI Key： LEZLNVJSGMTALY-UHFFFAOYSA-N
- SMILES： S1C=NC2=C1C(C(C)(C)CC2)=O
Computed Properties
- Exact Mass: 181.05613515g/mol
- Monoisotopic Mass: 181.05613515g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 215
- 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: 2.4
- Topological Polar Surface Area: 58.2?2
7(4H)-Benzothiazolone, 5,6-dihydro-6,6-dimethyl- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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