Cas no 35466-19-4 (1-Propanol,2-[(2-methyl-5-benzothiazolyl)oxy]-)
![1-Propanol,2-[(2-methyl-5-benzothiazolyl)oxy]- structure](https://ossimg.kuujia.com/scimg/35500/35466-19-4x500.png)
35466-19-4 structure
Product Name:1-Propanol,2-[(2-methyl-5-benzothiazolyl)oxy]-
CAS No:35466-19-4
MF:C11H13NO2S
MW:223.29142165184
CID:295646
Update Time:2024-01-27
1-Propanol,2-[(2-methyl-5-benzothiazolyl)oxy]- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanol,2-[(2-methyl-5-benzothiazolyl)oxy]-
- 1-Propanol,2-[(2-methyl-5-benzothiazolyl)oxy]-(9CI)
-
- Inchi： 1S/C11H13NO2S/c1-7(6-13)14-9-3-4-11-10(5-9)12-8(2)15-11/h3-5,7,13H,6H2,1-2H3
- InChI Key： FVDWBGLVGJQRCE-UHFFFAOYSA-N
- SMILES： C(O)C(OC1=CC=C2SC(C)=NC2=C1)C
Computed Properties
- Exact Mass: 223.06679
- Monoisotopic Mass: 223.067
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 215
- 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: 70.6A^2
Experimental Properties
- PSA: 42.35
1-Propanol,2-[(2-methyl-5-benzothiazolyl)oxy]- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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