2-(Methylthio)thiazole

C₄H₅NS₂CAS 5053-24-7131.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅NS₂
Molar mass: 131.21 g/mol
Exact mass: 130.9863 Da
logP: 1.86Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5053-24-7

SMILES

CSC1=NC=CS1

InChIKey

VQNOAXZUEKPSJC-UHFFFAOYSA-N

InChI

InChI=1S/C4H5NS2/c1-6-4-5-2-3-7-4/h2-3H,1H3

Weigh it out

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

Work with 2-(Methylthio)thiazole

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-Methylthiazole3581-87-144 % similar 2-Chlorothiazole3034-52-438 % similar 2-Methoxythiazole14542-13-338 % similar 2-(Trimethylsilyl)thiazole79265-30-838 % similar 2-Bromothiazole3034-53-537 % similar 2-Mercaptothiazole5685-05-237 % similar 2-Mercaptothiazole82358-09-637 % similar N-2-Thiazolylacetamide2719-23-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyl-2(3H)-thiazolethione4498-39-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook