34730-20-6

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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

34730-20-6

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 Formula	C₆H₅ClOS
Molecular Weight	160.62 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	45.3
Heavy Atom Count	9
Formal Charge	0
Complexity	126
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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