2-Methylthiazole

C4H5NSCAS 3581-87-199.15 g/mol

Open in Covalent MOL file
NS

Properties

Molecular formula
C4H5NS
Molar mass
99.15 g/mol
Exact mass
99.0143 Da
Density
1.1121 g/mL (at 20 °C)
Melting point
above 300 °C
Boiling point
128.5 °C
logP
1.45Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
3581-87-1
SMILES
Cc1nccs1
InChIKey
VZWOXDYRBDIHMA-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

2 names
  • Thiazole, 2-methyl-
  • 2-Methyl-1,3-thiazole

Work with 2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chlorothiazole3034-52-445 % similar 2-Methoxythiazole14542-13-344 % similar 2-(Methylthio)thiazole5053-24-744 % similar 2-(Trimethylsilyl)thiazole79265-30-844 % similar 2-Bromothiazole3034-53-543 % similar 2-Mercaptothiazole5685-05-243 % similar 2-Mercaptothiazole82358-09-643 % similar 2-Ethoxythiazole15679-19-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiophen-3-amine17721-06-1 5-Methylthiazole3581-89-3 Cyclopropyl isothiocyanate56601-42-4 Allyl isothiocyanate57-06-7 4-Methylthiazole693-95-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook