Cas no 130593-25-8 (2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-)
130593-25-8 structure
Product Name:2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-
CAS No:130593-25-8
MF:C9H6N2OS
MW:190.221740245819
CID:102573
PubChem ID:45076949
Update Time:2025-04-18
2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-
- 2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl-(9CI)
- 2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl
- 6-hydroxy-4-methylbenzo[d]thiazole-2-carbonitrile
- SCHEMBL12312793
- 6-hydroxy-4-methyl-1,3-benzothiazole-2-carbonitrile
- 130593-25-8
- 2-Benzothiazolecarbonitrile, 6-hydroxy-4-methyl-
-
- Inchi： 1S/C9H6N2OS/c1-5-2-6(12)3-7-9(5)11-8(4-10)13-7/h2-3,12H,1H3
- InChI Key： LBHNLZNMCBRODN-UHFFFAOYSA-N
- SMILES： S1C(C#N)=NC2=C1C=C(C=C2C)O
Computed Properties
- Exact Mass: 190.02000
- Monoisotopic Mass: 190.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 249
- 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: 85.2A^2
- XLogP3: 2.4
Experimental Properties
- Density: 1.459
- Boiling Point: 385.239 °C at 760 mmHg
- Flash Point: 186.786 °C
- PSA: 85.15000
- LogP: 2.18198
2-Benzothiazolecarbonitrile,6-hydroxy-4-methyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Jason Wan Lab Chip, 2020,20, 4528-4538
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