Cas no 21211-21-2 (3,6-dichlorobenzo[b]thiophene)
![3,6-dichlorobenzo[b]thiophene structure](https://ossimg.kuujia.com/scimg/21500/21211-21-2x500.png)
3,6-dichlorobenzo[b]thiophene structure
Product Name:3,6-dichlorobenzo[b]thiophene
CAS No:21211-21-2
MF:C8H4Cl2S
MW:203.088358879089
CID:1006998
PubChem ID:20146021
Update Time:2025-04-20
3,6-dichlorobenzo[b]thiophene Chemical and Physical Properties
Names and Identifiers
-
- 3,6-dichlorobenzo[b]thiophene
- Benzo[b]?thiophene, 3,?6-?dichloro-
- 21211-21-2
- 3,6-dichloro-1-benzothiophene
- D87906
- DB-217828
-
- MDL： MFCD09746078
- Inchi： 1S/C8H4Cl2S/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-4H
- InChI Key： YCXIPBPOPPOABP-UHFFFAOYSA-N
- SMILES： ClC1=CSC2C=C(C=CC=21)Cl
Computed Properties
- Exact Mass: 201.94100
- Monoisotopic Mass: 201.9410767g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 151
- 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: 4.2
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 28.24000
- LogP: 4.20810
3,6-dichlorobenzo[b]thiophene Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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