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Homecas39574-16-8

39574-16-8

39574-16-8 structural image
Product Name: ETHYL 2-ISOTHIOCYANATOPROPIONATE
Formula: C6H9NO2S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1141.8

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H314:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P309:IF exposed or if you feel unwell:
P310:Immediately call a POISON CENTER or doctor/physician.
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 159.21 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 159.03539970 g/mol
Monoisotopic Mass 159.03539970 g/mol
Topological Polar Surface Area 70.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 163
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes