Cas no 821787-25-1 (Benzo[b]thiophene-3-ethanol, 5-chloro-)
![Benzo[b]thiophene-3-ethanol, 5-chloro- structure](https://ossimg.kuujia.com/scimg/822000/821787-25-1x500.png)
821787-25-1 structure
Product Name:Benzo[b]thiophene-3-ethanol, 5-chloro-
CAS No:821787-25-1
MF:C10H9ClOS
MW:212.695860624313
CID:696745
PubChem ID:23614440
Update Time:2025-04-19
Benzo[b]thiophene-3-ethanol, 5-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene-3-ethanol, 5-chloro-
- 2-(5-chloro-1-benzothiophen-3-yl)ethanol
- 821787-25-1
- DTXSID20635156
- SCHEMBL5469050
- OHUNEIWXUHVALR-UHFFFAOYSA-N
- 2-(5-Chloro-1-benzothiophen-3-yl)ethan-1-ol
- 2-(5-chloro-1-benzothiophene-3-yl)ethanol
-
- Inchi： 1S/C10H9ClOS/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,12H,3-4H2
- InChI Key： OHUNEIWXUHVALR-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C(=CS2)CCO
Computed Properties
- Exact Mass: 212.0062638g/mol
- Monoisotopic Mass: 212.0062638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 176
- 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: 3.1
- Topological Polar Surface Area: 48.5?2
Benzo[b]thiophene-3-ethanol, 5-chloro- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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