625-60-5
Product Name:
Ethanethioic acid S-ethyl ester
Formula:
C4H8OS
Synonyms:
S-Ethyl acetothioate;S-Ethyl ethanethioate;S-Ethyl thioacetate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
---|---|
Solubility | insoluble in water; soluble in alcohol; miscible in diethyl ether |
Density | 0.979 (20°) |
Refractive Index | 1.456-1.468 |
Kovats Retention Index | 749 |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H225:Flammable liquids H302:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 | 104.17 g/mol |
---|---|
XLogP3 | 1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 2 |
Exact Mass | 104.02958605 g/mol |
Monoisotopic Mass | 104.02958605 g/mol |
Topological Polar Surface Area | 42.4 Ų |
Heavy Atom Count | 6 |
Formal Charge | 0 |
Complexity | 51.5 |
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 |
PRODUCT INTRODUCTION
description
S-Ethyl thioacetate is a thiocarboxylic ester.