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Technical details about CAS 20295-34-5, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 20295-34-5, Cyclopropanethiocarboxamide, Mfcd09469287, Cyclopropanethioamide, Bis(2-azidoethyl)ether, Cyclopropane carbothioamide
Molecular Formula
C4H7NS
Molecular Weight
101.17  g/mol
InChI Key
IIPJWNFOLPDTEQ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclopropanecarbothioamide
2.1.2 InChI
InChI=1S/C4H7NS/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
2.1.3 InChI Key
IIPJWNFOLPDTEQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC1C(=S)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 20295-34-5

2. Cyclopropanethiocarboxamide

3. Mfcd09469287

4. Cyclopropanethioamide

5. Bis(2-azidoethyl)ether

6. Cyclopropane Carbothioamide

7. Cyclopropane-thiocarboxamide

8. Cyclopropane-1-carbothioamide

9. Schembl467970

10. Dtxsid90622836

11. Albb-014820

12. Amy30195

13. Stk351147

14. Zinc12394934

15. Akos000152001

16. Ab50595

17. Gs-5604

18. Cyclopropanecarbothioic Acid Amide

19. Ac-29739

20. Sy083849

21. Db-012427

22. Bb 0262363

23. Cs-0144906

24. Ft-0660615

25. En300-31860

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 101.17 g/mol
Molecular Formula C4H7NS
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass101.02992040 g/mol
Monoisotopic Mass101.02992040 g/mol
Topological Polar Surface Area58.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity75.6
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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