Isothiazole

C₃H₃NSCAS 288-16-485.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₃NS
Molar mass: 85.12 g/mol
Exact mass: 84.9986 Da
Density: 1.1706 g/mL (at 20 °C)
Melting point: 176 °C (decomposes)
Boiling point: 113 °C (at 770 Torr)
logP: 1.14Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

288-16-4

SMILES

c1cnsc1

InChIKey

ZLTPDFXIESTBQG-UHFFFAOYSA-N

InChI

InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H

Weigh it out

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

Names and synonyms

2 names

1,2-Thiazole
2-Azathiophene

Work with Isothiazole

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

Same formula

Thiazole288-47-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia