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2D Structure
Also known as: 34730-20-6, Dtxsid30455322, Refchem:255074, Dtxcid20406141, 1-(4-chlorothiophen-2-yl)ethanone, Ethanone, 1-(4-chloro-2-thienyl)-
Molecular Formula
C6H5ClOS
Molecular Weight
160.62  g/mol
InChI Key
FKESGQASARHBDC-UHFFFAOYSA-N
FDA UNII
Z3C7W2LE9R

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-chlorothiophen-2-yl)ethanone
2.1.2 InChI
InChI=1S/C6H5ClOS/c1-4(8)6-2-5(7)3-9-6/h2-3H,1H3
2.1.3 InChI Key
FKESGQASARHBDC-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
Z3C7W2LE9R
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 34730-20-6

2. Dtxsid30455322

3. Refchem:255074

4. Dtxcid20406141

5. 1-(4-chlorothiophen-2-yl)ethanone

6. Ethanone, 1-(4-chloro-2-thienyl)-

7. 1-(4-chlorothiophen-2-yl)ethan-1-one

8. Mfcd00082791

9. 1-(4-chloro-2-thienyl)ethanone

10. Avatrombopag Impurity 21

11. 4-chloro-2-acetylthiophene

12. Z3c7w2le9r

13. Schembl1665488

14. Schembl28570254

15. 1-(4-chlor-2-thienyl)-ethanon

16. Fkesgqasarhbdc-uhfffaoysa-n

17. Akos006346449

18. Cs-w019540

19. Fs-2041

20. Pb13009

21. 2-acetyl-4-chlorothiophene, Aldrichcpr

22. Fc139326

23. Sy101316

24. Db-005906

25. F033141

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 160.62 g/mol
Molecular Formula C6H5ClOS
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area45.3
Heavy Atom Count9
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1