Cas no 131105-83-4 (Benzothiazole,2-(chloromethyl)-5-methoxy-)
131105-83-4 structure
Product Name:Benzothiazole,2-(chloromethyl)-5-methoxy-
CAS No:131105-83-4
MF:C9H8ClNOS
MW:213.683919906616
CID:102417
PubChem ID:45076947
Update Time:2025-04-18
Benzothiazole,2-(chloromethyl)-5-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole,2-(chloromethyl)-5-methoxy-
- 2-(Chloromethyl)-5-methoxy-1,3-benzothiazole
- 2-ChloroMethyl-5-Methoxybenzothiazole
- Benzothiazole, 2-(chloromethyl)-5-methoxy- (9CI)
- 131105-83-4
- Benzothiazole,2-(chloromethyl)-5-methoxy-(9ci)
- 2-Chloromethyl-5-methoxybenzo[d]thiazole, 97%
- 2-(chloromethyl)-5-methoxybenzo[d]thiazole
- BENZOTHIAZOLE, 2-(CHLOROMETHYL)-5-METHOXY-
- DB-274745
-
- Inchi： 1S/C9H8ClNOS/c1-12-6-2-3-8-7(4-6)11-9(5-10)13-8/h2-4H,5H2,1H3
- InChI Key： LEFZQVCYAYXINQ-UHFFFAOYSA-N
- SMILES： ClCC1=NC2C=C(C=CC=2S1)OC
Computed Properties
- Exact Mass: 213.00164
- Monoisotopic Mass: 213.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 181
- 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: 50.4A^2
- XLogP3: 2.8
Experimental Properties
- PSA: 22.12
Benzothiazole,2-(chloromethyl)-5-methoxy- Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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