chempirical

4-Methylthiazole

C4H5NSCAS 693-95-899.15 g/mol

Open in Covalent MOL file
SN

Properties

Molecular formula
C4H5NS
Molar mass
99.15 g/mol
Exact mass
99.0143 Da
Density
1.112 g/mL (at 25 °C)
Melting point
134 °C
Boiling point
132 °C (at 743 Torr)
logP
1.45Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
693-95-8
SMILES
Cc1cscn1
InChIKey
QMHIMXFNBOYPND-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Thiazole, 4-methyl-
  • NSC 42976
  • 4-Methyl-1,3-thiazole

Work with 4-Methylthiazole

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

2,5-Dimethylpyrazine123-32-038 % similar 4,6-Dimethylpyrimidine1558-17-435 % similar 2-Ethyl-4-methylthiazole15679-12-634 % similar 4-Methyl-2(3H)-thiazolethione4498-39-933 % similar 3-Methylisoquinoline1125-80-031 % similar 2-Ethyl-5-methylpyrazine13360-64-031 % similar 2-Methylpyridine109-06-831 % similar Methylpyrazine109-08-031 % similar

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

Same formula

2-Methylthiazole3581-87-1 5-Methylthiazole3581-89-3 Cyclopropyl isothiocyanate56601-42-4 Allyl isothiocyanate57-06-7

Elsewhere

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