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

C6H8N2O2SCAS 175205-07-9172.20 g/mol

Open in Covalent MOL file
OONHSHN
Ether

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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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

Similar compounds

4-Hydroxy-6-methoxymethyl-2-methylpyrimidine38249-50-244 % similar 4-Amino-6-hydroxy-2-mercaptopyrimidine monohydrate65802-56-441 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-4-Thiazolylalanine119433-80-6 D-4-Thiazolylalanine131896-42-9 Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-9 Ethyl 2-aminothiazole-5-carboxylate32955-21-8 2-Aminobenzenesulfonamide3306-62-5 Methyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate3829-80-9 Ethyl 2-aminothiazole-4-carboxylate5398-36-7 Sulfanilamide63-74-1

Elsewhere

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