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CAS 106649-95-0
PharmaCompass
CAS 106649-95-0
Also known as: 3-chloro-n-sulphamylpropionamidine, N-sulphamyl-3-chloropropioamidine, N-sulfamoyl-3-chloropropionamidine, St51001065, 106492-70-0, 106649-95-0
Molecular Formula
C3H8ClN3O2S
Molecular Weight
185.626  g/mol
InChI Key
QZFCNUHDVLMXDA-UHFFFAOYSA-N

1 2D Structure

CAS 106649-95-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-N'-sulfamoylpropanimidamide
2.1.2 InChI
InChI=1S/C3H8ClN3O2S/c4-2-1-3(5)7-10(6,8)9/h1-2H2,(H2,5,7)(H2,6,8,9)
2.1.3 InChI Key
QZFCNUHDVLMXDA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCl)C(=NS(=O)(=O)N)N
2.1.5 Isomeric SMILES
C(CCl)/C(=N/S(=O)(=O)N)/N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 3-chloro-n-sulphamylpropionamidine

2. N-sulphamyl-3-chloropropioamidine

3. N-sulfamoyl-3-chloropropionamidine

4. St51001065

5. 106492-70-0

6. 106649-95-0

7. 3-chloro-n-sulfamoylpropanimidamide

8. C3h8cln3o2s

9. Ac1nwmnz

10. Pro033

11. Schembl17726960

12. Fch850241

13. Akos006294949

14. Akos024367245

15. Mcule-6732331700

16. Ak115631

17. R861

18. Ax8017445

19. Db-040689

20. 92c700

21. (1z)-2-amino-4-chloro-1-azabut-1-enesulfonamide

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 185.626 g/mol
Molecular Formula C3H8ClN3O2S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass185.003 g/mol
Monoisotopic Mass185.003 g/mol
Topological Polar Surface Area107 A^2
Heavy Atom Count10
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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