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Also known as: 1533519-84-4, 4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazole-3-thiol, Lesinurad impurity 13, 4-(4-cyclopropylnaphthalen-1-yl)-1h-1,2,4-triazole-5-thione, Schembl5524129, Dtxsid001151159
Molecular Formula
C15H13N3S
Molecular Weight
267.4  g/mol
InChI Key
UFYFJMMSOUURSF-UHFFFAOYSA-N

CAS 1533519-84-4
1 2D Structure

CAS 1533519-84-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
2.1.2 InChI
InChI=1S/C15H13N3S/c19-15-17-16-9-18(15)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-10H,5-6H2,(H,17,19)
2.1.3 InChI Key
UFYFJMMSOUURSF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)N4C=NNC4=S
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1533519-84-4

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

3. Lesinurad Impurity 13

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

5. Schembl5524129

6. Dtxsid001151159

7. Amy27874

8. Bcp11529

9. Cs-m3242

10. Ex-a3278

11. Mfcd28404707

12. Akos027250576

13. Zinc145819960

14. Gs-6391

15. Ac-29319

16. A883830

17. 4-(4-cyclopropyl-1-naphthyl)-1,2,4-triazole-5(4h)-thione

18. 4-(4-cyclopropyl-1-naphthalenyl)-2,4-dihydro-3h-1,2,4-triazole-3-thione

19. 4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3h-1,2,4-triazole-3-thione

20. 4-(4-cyclopropylnaphthalen-1-yl)-4,5-dihydro-1h-1,2,4-triazole-5-thione

21. 4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazole-3-thiol;4-(4-cyclopropylnaphthalen-1-yl)-1h-1,2,4-triazole-5(4h)-thione

2.3 Create Date
2012-12-01
3 Chemical and Physical Properties
Molecular Weight 267.4 g/mol
Molecular Formula C15H13N3S
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass267.08301860 g/mol
Monoisotopic Mass267.08301860 g/mol
Topological Polar Surface Area59.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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