CAS 145783-12-6

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69 Related Intermediates

Chemistry

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Also known as: 145783-12-6, 4-hydroxy-2-propylsulfanyl-1h-pyrimidin-6-one, 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone, S-propyl-2-thiobarbituric acid, 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone; 2-(propylthio)pyrimidine-4,6-diol, 4(1h)-pyrimidinone, 6-hydroxy-2-(propylthio)-

Molecular Formula

C₇H₁₀N₂O₂S

Molecular Weight

186.23 g/mol

InChI Key

JNDANYQUROGPBP-UHFFFAOYSA-N

1 2D Structure

CAS 145783-12-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-2-propylsulfanyl-1H-pyrimidin-6-one

2.1.2 InChI

InChI=1S/C7H10N2O2S/c1-2-3-12-7-8-5(10)4-6(11)9-7/h4H,2-3H2,1H3,(H2,8,9,10,11)

2.1.3 InChI Key

JNDANYQUROGPBP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCSC1=NC(=CC(=O)N1)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 145783-12-6

2. 4-hydroxy-2-propylsulfanyl-1h-pyrimidin-6-one

3. 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone

4. S-propyl-2-thiobarbituric Acid

5. 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone; 2-(propylthio)pyrimidine-4,6-diol

6. 4(1h)-pyrimidinone, 6-hydroxy-2-(propylthio)-

7. Schembl1253257

8. Dtxsid50395534

9. 2-propylthio-pyrimidine-4,6-diol

10. Bcp17016

11. Cs-m3512

12. Vfa78312

13. Stl304862

14. Akos006304397

15. Akos016844815

16. 2-(propylsulfanyl)pyrimidine-4,6-diol

17. Sb56147

18. 4,6-dihydroxy-2-(propylthio)pyrimidine

19. 1265919-33-2

20. Cs-15071

21. 4,6-dihydroxy-2-(propylsulfanyl)pyrimidine

22. Db-063626

23. Eu-0076533

24. Ft-0755572

25. C13029

26. Sr-01000477747

27. J-008153

28. Sr-01000477747-1

29. 6-hydroxy-2-(propylsulfanyl)-3,4-dihydropyrimidin-4-one

2.2.2 Other Synonyms

1. 4-hydroxy-2-propylsulfanyl-1h-pyrimidin-6-one

2. 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone

3. S-propyl-2-thiobarbituric Acid

4. 6-hydroxy-2-(propylthio)-4(3h)-pyrimidinone; 2-(propylthio)pyrimidine-4,6-diol

5. 4,6-dihydroxy-2-(propylsulfanyl)pyrimidine

6. 1265919-33-2

2.3 Create Date

2005-09-10

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₀N₂O₂S
Molecular Weight	186.23 g/mol
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	87
Heavy Atom Count	12
Formal Charge	0
Complexity	248
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