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22131-92-6

22131-92-6 structural image
Product Name: 3-Thietanone
Formula: C3H4OS
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H317:Sensitisation, Skin
H332:Acute toxicity,inhalation
H334:Sensitisation, respiratory
H341:Germ cell mutagenicity
H351:Carcinogenicity
H361:Reproductive toxicity
H372:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P272:Contaminated work clothing should not be allowed out of the workplace.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P285:In case of inadequate ventilation wear respiratory protection.
P363:Wash contaminated clothing before reuse.
P391:Collect spillage. Hazardous to the aquatic environment
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.
P405:Store locked up.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 88.13 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 87.99828592 g/mol
Monoisotopic Mass 87.99828592 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 53.9
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

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