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6964-71-2

6964-71-2 | 4(3H)-Pyrimidinone,5-(2-ethoxyethyl)-6-hydroxy-2-(methylthio)-

CAS No: 6964-71-2 Catalog No: AG005JPO MDL No:

Product Description

Catalog Number:
AG005JPO
Chemical Name:
4(3H)-Pyrimidinone,5-(2-ethoxyethyl)-6-hydroxy-2-(methylthio)-
CAS Number:
6964-71-2
Molecular Formula:
C9H14N2O3S
Molecular Weight:
230.2841
IUPAC Name:
5-(2-ethoxyethyl)-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C9H14N2O3S/c1-3-14-5-4-6-7(12)10-9(15-2)11-8(6)13/h3-5H2,1-2H3,(H2,10,11,12,13)
InChI Key:
XZJPBUNHECRIEW-UHFFFAOYSA-N
SMILES:
CCOCCc1c(O)nc(nc1O)SC
NSC Number:
66837

Properties

Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.073g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.282g/mol
Monoisotopic Mass:
230.073g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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