Cas no 120821-91-2 (2-Benzothiazolemethanol,a-(1-methylethyl)-)
120821-91-2 structure
Product Name:2-Benzothiazolemethanol,a-(1-methylethyl)-
CAS No:120821-91-2
MF:C11H13NOS
MW:207.292021512985
CID:133229
PubChem ID:20687757
Update Time:2025-04-19
2-Benzothiazolemethanol,a-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolemethanol,a-(1-methylethyl)-
- 2-Benzothiazolemethanol,alpha-(1-methylethyl)-(9CI)
- 1-(1,3-benzothiazol-2-yl)-2-methylpropan-1-ol
- 120821-91-2
-
- Inchi： 1S/C11H13NOS/c1-7(2)10(13)11-12-8-5-3-4-6-9(8)14-11/h3-7,10,13H,1-2H3
- InChI Key： OXUBPBOAVXPHDK-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2N=C1C(C(C)C)O
Computed Properties
- Exact Mass: 207.07189
- Monoisotopic Mass: 207.072
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.4A^2
- XLogP3: 2.9
Experimental Properties
- PSA: 33.12
- LogP: 2.98570
2-Benzothiazolemethanol,a-(1-methylethyl)- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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