5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil

HCID 3000402

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Basic information

CAS: 136160-37-7
Standard SMILES: CCOCn1c(Sc2ccccc2)c(C2CC2)c(=O)[nH]c1=S
InChIKey: USUVLNAUWPBOKC-UHFFFAOYSA-N
Molecular formula: C16H18N2O2S2
Average molar mass: 334.5 g/mol
Monoisotopic mass: 334.08097017

Names & identifiers

Preferred name: 5-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil
IUPAC: 5-cyclopropyl-1-(ethoxymethyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one

Names & synonyms

136160-37-75-Cyclopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil1-EtOMe-6PhS-5cyPr2thio UCHEMBL3355845-Cyclopropyl-1-(ethoxymethyl)-6-(phenylthio)-2-thioxo-2,3-dihydropyrimidin-4(1H)-oneDTXSID70159716BDBM500041155-cyclopropyl-1-(ethoxymethyl)-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one5-Cyclopropyl-1-ethoxymethyl-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one5-Cyclopropyl-1-(ethoxymethyl)-6-(phenylsulfanyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Database identifiers

CAS: 136160-37-7
PubChem CID: 3000402
DTXSID: DTXSID70159716
ChEMBL: CHEMBL335584
Nikkaji: J522.704F

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 99 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 483

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