1-(4-Methyloxycarbonylphenylthio)methyl-5-iodopyrimidin-2-one

HCID 20161344
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Basic information

Standard SMILES
COC(=O)c1ccc(SCn2cc(I)cnc2=O)cc1
InChIKey
PRDKRYZMXPHGRY-UHFFFAOYSA-N
Molecular formula
C13H11IN2O3S
Average molar mass
402.21 g/mol
Monoisotopic mass
401.95351

Names & identifiers

Preferred name
1-(4-Methyloxycarbonylphenylthio)methyl-5-iodopyrimidin-2-one
IUPAC
methyl 4-[(5-iodo-2-oxopyrimidin-1-yl)methylsulfanyl]benzoate

Names & synonyms

SCHEMBL10742866PRDKRYZMXPHGRY-UHFFFAOYSA-N1-(4-Methyloxycarbonylphenylthio)methyl-5-iodopyrimidin-2-one

Database identifiers

PubChem CID
20161344

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
84.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Related reactions

3 records
New reaction record

Compound notes

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