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CAS 153851-71-9 manufacturers and suppliers on PharmaCompass

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4CH-012888
Also known as: 153851-71-9, 6,7-dihydro-6-mercapto-5h-pyrazolo[1,2-a][1,2,4]triazolium chloride, 6-mercapto-6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium chloride, 6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-thiol;chloride, 6,7-dihydro-6-mercapto-5h-pyrazolo(1,2-a) (1,2,4)-triazolium chloride, 6-sulfanyl-6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium chloride
Molecular Formula
C5H8ClN3S
Molecular Weight
177.66  g/mol
InChI Key
HPBXUFOSZBCEIQ-UHFFFAOYSA-N

1 2D Structure

4CH-012888

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-thiol;chloride
2.1.2 InChI
InChI=1S/C5H7N3S.ClH/c9-5-1-7-3-6-4-8(7)2-5;/h3-5H,1-2H2;1H
2.1.3 InChI Key
HPBXUFOSZBCEIQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C(C[N+]2=CN=CN21)S.[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 153851-71-9

2. 6,7-dihydro-6-mercapto-5h-pyrazolo[1,2-a][1,2,4]triazolium Chloride

3. 6-mercapto-6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium Chloride

4. 6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-thiol;chloride

5. 6,7-dihydro-6-mercapto-5h-pyrazolo(1,2-a) (1,2,4)-triazolium Chloride

6. 6-sulfanyl-6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium Chloride

7. 5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium, 6,7-dihydro-6-mercapto-, Chloride

8. Schembl4561067

9. Schembl4561071

10. Dtxsid70440297

11. Mfcd08062366

12. Akos006284722

13. Ac-2026

14. Cs-w006177

15. Sb67351

16. As-14605

17. Ft-0643512

18. Q-101267

19. Q-101926

20. 6,7-dihydro-6-mercapto-5h-pyrazolo[1,2-a][1,2,4]

21. 6,7-dihydro-6-mercapto-5h-pyrazolo[1,2-a][1,2,4]-triazolium Chloride

22. 6,7-dihydro-6-mercapto-5h-pyrazolo[1,2-a][1,2,4]triazol-4-iumchloride

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 177.66 g/mol
Molecular Formula C5H8ClN3S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass177.0127461 g/mol
Monoisotopic Mass177.0127461 g/mol
Topological Polar Surface Area22.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity107
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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URL Supplier Web Content
627-31-6
Biapenem
At Infinium Pharmachem Pvt. Ltd., we are well focused to Iodine chemistry & this is the only core area of...
At Infinium Pharmachem Pvt. Ltd., we are well focused to Iodine chemistry & this is the only core area of ours. We are working as CRAMS, but our domain is very restricted to Iodine chemistry & it revolves around Iodine derivatives or Iodination. We manufacture & supply wide range of superior quality Iodine Derivatives & API Since 2003. We are also providing fully integrated customized services from R & D to Commercial scale manufacturing and packaging for our products to the Pharmaceutical,Agrochemical,Nutraceutical, Speciality Chemicals & various other chemical Industries.
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