3(2H)-Isothiazolone, 2-methyl-, hydrochloride


Chemical Name: 3(2H)-Isothiazolone, 2-methyl-, hydrochloride
CAS Number: 26172-54-3
Product Number: AG002RZY(AGN-PC-0JLLF7)
Synonyms:
MDL No:
Molecular Formula: C4H6ClNOS
Molecular Weight: 151.6145

Identification/Properties


Computed Properties
Molecular Weight:
151.608g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
150.986g/mol
Monoisotopic Mass:
150.986g/mol
Topological Polar Surface Area:
45.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
121
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2923
Hazard Statements:
H301+H311-H314-H317-H330-H410
Precautionary Statements:
P260-P264-P270-P271-P272-P273-P280-P284-P301+P310+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P333+P313-P361+P364-P391-P403+P233-P405-P501
Class:
8,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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