6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

C₆H₈N₂O₂SCAS 175205-07-9172.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₈N₂O₂S
Molar mass: 172.20 g/mol
Exact mass: 172.0306 Da
logP: 0.58Crippen estimate
Polar surface area: 57.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

175205-07-9

SMILES

COCC1=CC(=O)NC(=S)N1

InChIKey

YNVMVIUSRGXSEN-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2O2S/c1-10-3-4-2-5(9)8-6(11)7-4/h2H,3H2,1H3,(H2,7,8,9,11)

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Names and synonyms

1 names

4-Hydroxy-6-methoxymethylpyrimidine-2-thiol

Work with 6-(Methoxymethyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

L-4-Thiazolylalanine119433-80-6 D-4-Thiazolylalanine131896-42-9 Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-9 2-Aminobenzenesulfonamide3306-62-5 Ethyl 2-amino-4-thiazolecarboxylate5398-36-7 Sulfanilamide63-74-1 Benzenesulfonyl hydrazide80-17-1 3-Aminobenzenesulfonamide98-18-0

Elsewhere

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