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CAS 145783-13-7

Chemistry, 1 End Use API, 61 Related Intermediates

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Also known as: 145783-13-7, 4-hydroxy-5-nitro-2-propylsulfanyl-1h-pyrimidin-6-one, 4(1h)-pyrimidinone, 6-hydroxy-5-nitro-2-(propylthio)-, Schembl1254621, Schembl8682912, Dtxsid10617047

Molecular Formula

C₇H₉N₃O₄S

Molecular Weight

231.23 g/mol

InChI Key

PHMVMACIFWKESN-UHFFFAOYSA-N

1 2D Structure

CAS 145783-13-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-hydroxy-5-nitro-2-propylsulfanyl-1H-pyrimidin-6-one

2.1.2 InChI

InChI=1S/C7H9N3O4S/c1-2-3-15-7-8-5(11)4(10(13)14)6(12)9-7/h2-3H2,1H3,(H2,8,9,11,12)

2.1.3 InChI Key

PHMVMACIFWKESN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCSC1=NC(=C(C(=O)N1)[N+](=O)[O-])O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 145783-13-7

2. 4-hydroxy-5-nitro-2-propylsulfanyl-1h-pyrimidin-6-one

3. 4(1h)-pyrimidinone, 6-hydroxy-5-nitro-2-(propylthio)-

4. Schembl1254621

5. Schembl8682912

6. Dtxsid10617047

7. Bcp17015

8. Cs-m1812

9. Vfa78313

10. Mfcd26385870

11. Akos016844821

12. Ds-4697

13. Sb55502

14. 5-nitro-2-propylthiopyrimidine-4,6-diol

15. 5-nitro-2-(propylthio)pyrimdine-4,6-diol

16. 4,6-dihydroxy-5-nitro-2-(propylthio)pyrimidine

17. A851056

18. 6-hydroxy-5-nitro-2-(propylsulfanyl)pyrimidin-4(3h)-one

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₇H₉N₃O₄S
Molecular Weight	231.23 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	133
Heavy Atom Count	15
Formal Charge	0
Complexity	358
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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CAS Number

1156491-10-9

End Use API

We believe in attaining the highest levels of customer satisfaction and social welfare with the philosoph...

We believe in attaining the highest levels of customer satisfaction and social welfare with the philosophy of keeping first things first. Our systematic interventions keeping abreast of new and emerging technologies consistently help us meet and exceed quality standards with significant innovations. At LifeFirst, we strive to maintain our goodwill as one of the key partners of choice with the reputation of delivering consistently high-quality products to the pharmaceutical industry. After all, our fundamental philosophy is to offer unrelenting care and cure worldwide with our innovations.

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