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693-92-5

693-92-5 structural image
Product Name: 3-METHYLISOTHIAZOLE
Formula: C4H5NS
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 842 796

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 99.16 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 99.01427034 g/mol
Monoisotopic Mass 99.01427034 g/mol
Topological Polar Surface Area 41.1 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 46.8
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 1
Compound Is Canonicalized Yes