AG005BLO

Name: 5-Iodo-2-(Methylthio)Pyrimidin-4(3H)-One
Brand: Angene Chemical
SKU: AG005BLO

76510-61-7 | 5-Iodo-2-(Methylthio)Pyrimidin-4(3H)-One

AG005BLO

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CAS Number	76510-61-7
Catalog Number	AG005BLO(AGN-PC-0OHTXC)
Chemical Name	5-Iodo-2-(Methylthio)Pyrimidin-4(3H)-One
IUPAC Name	5-iodo-2-methylsulfanyl-1H-pyrimidin-6-one
InChI	InChI=1S/C5H5IN2OS/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9)
InChI Key	WTHKWCNGAAYWAQ-UHFFFAOYSA-N
MDL Number	MFCD10001454
Molecular Formula	C5H5IN2OS
Molecular Weight	268.0755
SMILES	CSC1=NC(O)=C(I)C=N1
Synonyms	76510-61-7, 5-Iodo-2-(methylthio)pyrimidin-4(3H)-one, 5-iodo-2-(methylthio)-4(3H)-Pyrimidinone, 5-iodo-2-(methylthio)pyrimidin-4-ol, 4(3H)-Pyrimidinone,5-iodo-2-(methylthio)-, 5-iodo-2-methylsulfanyl-3H-pyrimidin-4-one, SCHEMBL4775824, SCHEMBL14119366, SCHEMBL16466339, CTK5E3043, DTXSID30463482, WTHKWCNGAAYWAQ-UHFFFAOYSA-N, MFCD20482161, ZINC78404333, AKOS030230134, AG-H-05354, FCH1397934, 2-methylthio-4-hydroxy-5-iodopyrimidine, AM805349, DB-075139, 2-(Methylthio)-5-iodopyrimidine-4(1H)-one, CS-0078762, FT-0722355, 4(3H)-Pyrimidinone, 5-iodo-2-(methylthio)-, 5-iodo-2-(methylsulfanyl)-4(3H)-pyrimidinone, AN-584/43507493, CID11357649, 5-IODO-6-HYDROXY-2-METHYLTHIO-PYRIMIDINE,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.917g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	268.072g/mol
Monoisotopic Mass	267.917g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited