3-Methylthio-1,2,4-triazine

C₄H₅N₃SCAS 28735-21-9127.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅N₃S
Molar mass: 127.16 g/mol
Exact mass: 127.0204 Da
logP: 0.59Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

28735-21-9

SMILES

CSC1=NC=CN=N1

InChIKey

NFHGWQLAJYTULJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H5N3S/c1-8-4-5-2-3-6-7-4/h2-3H,1H3

Weigh it out

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

Work with 3-Methylthio-1,2,4-triazine

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-Methyl-2-(methylthio)pyrimidine14001-63-941 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-841 % similar 2-(Methylthio)pyrimidin-4-amine2183-66-640 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-240 % similar 5-Bromo-2-(methylsulfanyl)pyrimidine14001-67-339 % similar 2-(Methylthio)pyrazine21948-70-939 % similar 2-Methyl-3-(methylthio)pyrazine2882-20-439 % similar Methyl(methylthio)pyrazine67952-65-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(4,5-Dihydro-2-thiazolyl)cyanamide26364-65-8 2-Thiocytosine333-49-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook