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

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 1,505 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

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

4-Bromothiazole34259-99-942 % similar 2,5-Dimethylpyrazine123-32-038 % similar Thiazole-4-carboxaldehyde3364-80-537 % similar 4-Hydroxymethylthiazole7036-04-637 % similar 4,6-Dimethylpyrimidine1558-17-435 % similar 2,4-Dimethylthiazole541-58-235 % similar 2-Ethyl-4-methyl thiazole15679-12-634 % similar 4-Thiazolecarboxylic acid3973-08-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiophen-3-amine17721-06-1 2-Methylthiazole3581-87-1 5-Methylthiazole3581-89-3 Cyclopropyl isothiocyanate56601-42-4 Allyl isothiocyanate57-06-7

Elsewhere

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