2-(Methylthio)-4(3H)-pyrimidinone

C5H6N2OSCAS 5751-20-2142.18 g/mol

Open in Covalent MOL file
SNOHN
PhenolSulfide

Properties

Molecular formula
C5H6N2OS
Molar mass
142.18 g/mol
Exact mass
142.0201 Da
Melting point
199 °C
logP
0.90Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5751-20-2
SMILES
CSc1nccc(O)n1
InChIKey
UYHSQVMHSFXUOA-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2OS/c1-9-5-6-3-2-4(8)7-5/h2-3H,1H3,(H,6,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • 4(3H)-Pyrimidinone, 2-(methylthio)-
  • 4(1H)-Pyrimidinone, 2-(methylthio)-
  • 4-Pyrimidinol, 2-(methylthio)-
  • 2-Methylthiouracil
  • 2-(Methylthio)-4-pyrimidone
  • 4-Hydroxy-2-(methylthio)pyrimidine
  • 2-(Methylthio)-4(1H)-pyrimidinone
  • 2-(Methylthio)-4-pyrimidinone
  • 2-(Methylthio)-4-pyrimidinol
  • 2-Methylthio-4-hydroxypyrimidine
  • NSC 125339
  • NSC 165518
  • 2-Methylsulfanylpyrimidin-4-ol
  • 2-Methylthio-3H-pyrimidin-4-one
  • 2-Methylsulfanyl-3H-pyrimidin-4-one
  • 2-(Methylthio)pyrimidine-4(3H)-one
  • 2-Methylsulfanyl-1H-pyrimidin-6-one
  • 2-(Methylthio)-1H-pyrimidin-4-one

Work with 2-(Methylthio)-4(3H)-pyrimidinone

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

4,6-Dihydroxy-2-(methylthio)pyrimidine1979-98-262 % similar 4-Methyl-2-(methylthio)pyrimidine14001-63-955 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-855 % similar 2-(Methylthio)pyrimidin-4-amine2183-66-653 % similar Uracil66-22-850 % similar 2-(Methylthio)-4-pyrimidinecarboxaldehyde1074-68-648 % similar 2-Thiouracil141-90-247 % similar 1-[2-(Methylsulfanyl)pyrimidin-4-yl]ethan-1-one496863-48-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3-thiophenecarboxamide14080-51-4 3-Aminothiophene-2-carboxamide147123-47-5 Thiophene-2-carbohydrazide2361-27-5 N-2-Thiazolylacetamide2719-23-5 Methylthiouracil56-04-2 2-Thiothymine636-26-0

Elsewhere

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