CAS 878671-96-6

Chemistry, 1 End Use API, 8 Related Intermediates

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Also known as: 878671-96-6, Lesinurad impurity 12, 5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione, 3h-1,2,4-triazole-3-thione, 5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro, 3-amino-4-(4-cyclopropylnaphthalen-1-yl)-1h-1,2,4-triazole-5-thione, 3-amino-4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazole-5-thiol

Molecular Formula

C₁₅H₁₄N₄S

Molecular Weight

282.4 g/mol

InChI Key

VHPOGQZYQNLNNN-UHFFFAOYSA-N

1 2D Structure

CAS 878671-96-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-amino-4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione

2.1.2 InChI

InChI=1S/C15H14N4S/c16-14-17-18-15(20)19(14)13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13/h1-4,7-9H,5-6H2,(H2,16,17)(H,18,20)

2.1.3 InChI Key

VHPOGQZYQNLNNN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NNC4=S)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 878671-96-6

2. Lesinurad Impurity 12

3. 5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione

4. 3h-1,2,4-triazole-3-thione, 5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro

5. 3-amino-4-(4-cyclopropylnaphthalen-1-yl)-1h-1,2,4-triazole-5-thione

6. 3-amino-4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazole-5-thiol

7. 5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4h-[1,2,4]triazole-3-thiol

8. 5-amino-4-(4-cyclopropyl-naphthalen-1-yl)-4h-[1,2,4]triazole-3-thiol

9. 5-amino-4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3h-1,2,4-triazole-3-thione

10. 3-amino-4-(4-cyclopropyl-1-naphthyl)-1h-1,2,4-triazole-5(4h)-thione

11. Schembl249425

12. Schembl15556488

13. Dtxsid70676418

14. Amy40361

15. Bcp11531

16. Mfcd09991698

17. Zinc40435315

18. Akos015855157

19. Akos016012328

20. Ds-6722

21. Ac-30098

22. Db-077123

23. Cs-0012742

24. Ft-0729511

25. 5-amino-4-(1-cyclopropylnaphthalen-4-yl)-4h-1,2,4-triazole-3-thiol

26. 5-amino-4-(4-cyclopropylnaphthalen-1-yl)4h-1,2,4-triazole-3-thiol

27. 3h-1,2,4-triazole-3-thione,5-amino-4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro-

28. 5-amino-4-(4-cyclopropyl-1-naphthyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione

2.3 Create Date

2010-08-06

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄N₄S
Molecular Weight	282.4 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	282.09391764 g/mol
Monoisotopic Mass	282.09391764 g/mol
Topological Polar Surface Area	85.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	445
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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3-Amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triaz...

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CAS Number

CAS-878671-96-6

End Use API

Lesinurad

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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