Cas no 103986-15-8 (6-Benzothiazolemethanol,2-methyl-, 6-acetate)
103986-15-8 structure
Product Name:6-Benzothiazolemethanol,2-methyl-, 6-acetate
CAS No:103986-15-8
MF:C11H11NO2S
MW:221.275541543961
CID:125973
PubChem ID:76851537
Update Time:2025-04-18
6-Benzothiazolemethanol,2-methyl-, 6-acetate Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzothiazolemethanol,2-methyl-, 6-acetate
- 6-Benzothiazolemethanol,2-methyl-, acetate (6CI)
- 6-Benzothiazolemethanol,2-methyl-,acetate(6CI)
- 6-benzothiazolemethanol,2-methyl-,acetate
- 103986-15-8
-
- Inchi： 1S/C11H11NO2S/c1-7-12-10-4-3-9(5-11(10)15-7)6-14-8(2)13/h3-5H,6H2,1-2H3
- InChI Key： GAOCYBOIGRVCIN-UHFFFAOYSA-N
- SMILES： S1C(C)=NC2C=CC(COC(C)=O)=CC1=2
Computed Properties
- Exact Mass: 221.051
- Monoisotopic Mass: 221.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 247
- 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
- Topological Polar Surface Area: 67.4A^2
- XLogP3: 2.5
6-Benzothiazolemethanol,2-methyl-, 6-acetate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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