CAS 20295-34-5

1 2D Structure

CAS 20295-34-5

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 Formula	C₄H₇NS
Molecular Weight	101.17 g/mol
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	101.02992040 g/mol
Monoisotopic Mass	101.02992040 g/mol
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	75.6
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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CAS 20295-34-5

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