4-Thiazolidinone

HCID 637591

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Basic information

CAS: 2281-74-5
Standard SMILES: O=C1CSCN1
InChIKey: NOLHRFLIXVQPSZ-UHFFFAOYSA-N
Molecular formula: C3H5NOS
Average molar mass: 103.15 g/mol
Monoisotopic mass: 103.00918496

Names & identifiers

Preferred name: 4-Thiazolidinone
IUPAC: 1,3-thiazolidin-4-one

Names & synonyms

4-thiazolidinoneDTXSID00348459RefChem:100538DTXCID802995311,3-thiazolidin-4-onethiazolidin-4-one2281-74-54-THIAZOLIDONE4-oxothiazolidinethiazolidine-4-one4-oxo-thiazolidineSCHEMBL57039

Show more names

SCHEMBL121144SCHEMBL1259828SCHEMBL5161070SCHEMBL9845435NOLHRFLIXVQPSZ-UHFFFAOYSA-NAKOS006349706EN300-1720877InChI=1/C3H5NOS/c5-3-1-6-2-4-3/h1-2H2,(H,4,5

Database identifiers

CAS: 2281-74-5
PubChem CID: 637591
DTXSID: DTXSID00348459
EC Number: 823-871-6
Nikkaji: J2.339.171F

Properties

Computed structural propertiesFilling in

XLogP: 0.1
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 73

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.