2-Methyl-4-isothiazolin-3-one hydrochloride

C4H6ClNOSCAS 26172-54-3151.61 g/mol

HClNSO

Properties

Molecular formula
C4H6ClNOS
Molar mass
151.61 g/mol
Exact mass
150.9859 Da
logP
0.87Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 170 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P391, P403, P403+P233, P405, P501

Identifiers

CAS number
26172-54-3
SMILES
Cl.Cn1sccc1=O
InChIKey
SJXPQSRCFCPWQQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H

Weigh it out

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

Names and synonyms

5 names
  • 3(2H)-Isothiazolone, 2-methyl-, hydrochloride (1:1)
  • 4-Isothiazolin-3-one, 2-methyl-, hydrochloride
  • 3(2H)-Isothiazolone, 2-methyl-, hydrochloride
  • 2-Methyl-3-isothiazolone hydrochloride
  • 2-Methylisothiazol-3(2H)-one hydrochloride

Work with 2-Methyl-4-isothiazolin-3-one hydrochloride

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere