Cas no 709038-29-9 (Benzothiazole,2-(propoxymethyl)-)
709038-29-9 structure
Product Name:Benzothiazole,2-(propoxymethyl)-
CAS No:709038-29-9
MF:C11H13NOS
MW:207.292021512985
CID:557791
PubChem ID:71440034
Update Time:2025-04-19
Benzothiazole,2-(propoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-(propoxymethyl)-
- Benzothiazole,2-propoxymethyl- (5CI)
- 709038-29-9
- 2-(Propoxymethyl)-1,3-benzothiazole
-
- Inchi： 1S/C11H13NOS/c1-2-7-13-8-11-12-9-5-3-4-6-10(9)14-11/h3-6H,2,7-8H2,1H3
- InChI Key： DDMIFSRQIMGBKC-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2N=C1COCCC
Computed Properties
- Exact Mass: 207.07189
- Monoisotopic Mass: 207.07178521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 177
- 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: 3.2
- Topological Polar Surface Area: 50.4?2
Experimental Properties
- PSA: 22.12
Benzothiazole,2-(propoxymethyl)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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