5-Methylthiazole

C₄H₅NSCAS 3581-89-399.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅NS
Molar mass: 99.15 g/mol
Exact mass: 99.0143 Da
Density: 1.127 g/mL (at 20 °C)
Melting point: 67.1–68.3 °C
Boiling point: 143–145 °C
logP: 1.45Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation91.3% of notifiers
H319 Causes serious eye irritation91.3% of notifiers
H335 May cause respiratory irritation89.1% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

3581-89-3

SMILES

Cc1cncs1

InChIKey

RLYUNPNLXMSXAX-UHFFFAOYSA-N

InChI

InChI=1S/C4H5NS/c1-4-2-5-3-6-4/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, 5-methyl-
5-Methyl-1,3-thiazole

Work with 5-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

5-Bromothiazole3034-55-742 % similar 5-Thiazolecarboxaldehyde1003-32-337 % similar 5-Thiazolylmethanol38585-74-937 % similar 2,5-Dimethylthiazole4175-66-035 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole1086111-09-234 % similar Methyl 1,3-thiazole-5-carboxylate14527-44-734 % similar Thiazole-5-carboxylic acid14527-41-433 % similar 5-(Tributylstannyl)-1,3-thiazole157025-33-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Thiophen-3-amine17721-06-1 2-Methylthiazole3581-87-1 Cyclopropyl isothiocyanate56601-42-4 Allyl isothiocyanate57-06-7 4-Methylthiazole693-95-8

Elsewhere

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