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CAS 1187595-85-2 manufacturers and suppliers on PharmaCompass

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[1-(Ethylsulfonyl)Azetidin-3-Ylidene]Acetonitrile
Also known as: 1187595-85-2, 2-[1-(ethanesulfonyl)azetidin-3-ylidene]acetonitrile, [1-(ethylsulfonyl)azetidin-3-ylidene]acetonitrile, 2-[1-(ethylsulfonyl)-3-azetidinylidene]acetonitrile, 2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile, Schembl871344
Molecular Formula
C7H10N2O2S
Molecular Weight
186.23  g/mol
InChI Key
HQUIOHSYUKWGOM-UHFFFAOYSA-N

1 2D Structure

[1-(Ethylsulfonyl)Azetidin-3-Ylidene]Acetonitrile

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile
2.1.2 InChI
InChI=1S/C7H10N2O2S/c1-2-12(10,11)9-5-7(6-9)3-4-8/h3H,2,5-6H2,1H3
2.1.3 InChI Key
HQUIOHSYUKWGOM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCS(=O)(=O)N1CC(=CC#N)C1
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1187595-85-2

2. 2-[1-(ethanesulfonyl)azetidin-3-ylidene]acetonitrile

3. [1-(ethylsulfonyl)azetidin-3-ylidene]acetonitrile

4. 2-[1-(ethylsulfonyl)-3-azetidinylidene]acetonitrile

5. 2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile

6. Schembl871344

7. Amy4434

8. Dtxsid801221980

9. Bcp13973

10. Cs-m2446

11. Mfcd22987586

12. Akos025146561

13. Zinc114741608

14. Ds-8954

15. Sb52163

16. Ac-30033

17. Da-31808

18. Ft-0744137

19. P13428

20. (1-ethanesulfonyl-azetidin-3-ylidene)-acetonitrile

21. A892929

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 186.23 g/mol
Molecular Formula C7H10N2O2S
XLogP3-0.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass186.04629874 g/mol
Monoisotopic Mass186.04629874 g/mol
Topological Polar Surface Area69.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity333
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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1187595-85-2
Baricitinib
Beijing Cooperate Pharmaceutical Co.,Ltd is a high-tech company specializing in pharmaceutical and advanc...
Beijing Cooperate Pharmaceutical Co.,Ltd is a high-tech company specializing in pharmaceutical and advanced material, involving API,pharmaceutical intermediates and petrochemical additives . we are the direct producer of some kinds of new pharmaceutical intermediates products what can be use for the treatment of disease of heart head blood-vessel, cancer,mental sickness and respiratory disease .
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1187595-85-2
Baricitinib
Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceut...
Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceutical is engaged in the manufacturing and sales of high quality APIs and Intermediates.
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