Cas no 55810-81-6 (Benzo[b]thiophene, 5-chloro-2-(chloromethyl)-)
![Benzo[b]thiophene, 5-chloro-2-(chloromethyl)- structure](https://ossimg.kuujia.com/scimg/56000/55810-81-6x500.png)
55810-81-6 structure
Product Name:Benzo[b]thiophene, 5-chloro-2-(chloromethyl)-
CAS No:55810-81-6
MF:C9H6Cl2S
MW:217.114939212799
CID:1595666
PubChem ID:15133756
Update Time:2025-04-21
Benzo[b]thiophene, 5-chloro-2-(chloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzo[b]thiophene, 5-chloro-2-(chloromethyl)-
- DCCJHTKJPWNREI-UHFFFAOYSA-N
- 5-Chloro-2-(chloromethyl)benzo[b]thiophene
- 5-chloro-2-chloromethyl-benzo[b]thiophene
- 55810-81-6
- DTXSID301266484
- SCHEMBL2080656
-
- Inchi： 1S/C9H6Cl2S/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-4H,5H2
- InChI Key： DCCJHTKJPWNREI-UHFFFAOYSA-N
- SMILES： ClCC1=CC2C=C(C=CC=2S1)Cl
Computed Properties
- Exact Mass: 215.95688
- Monoisotopic Mass: 215.9567268g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 4
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 0
Benzo[b]thiophene, 5-chloro-2-(chloromethyl)- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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