CAS 50773-27-8 Tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate (HCID 86218856)

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Basic information

CAS: 50773-27-8
Standard SMILES: CC(C)(C)OC(=O)CN1C(=O)CSC1=O
InChIKey: BKUAQGWOPUHCQD-UHFFFAOYSA-N
Molecular formula: C9H13NO4S
Average molar mass: 231.27 g/mol

Names & identifiers

Preferred name: Tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate
IUPAC: tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetate
English name: (2,4-Dioxo-thiazolidin-3-yl)-acetic acid tert-butyl ester
Molecular formula: C9H13NO4S
Molecular weight: 231.27

Names & synonyms

50773-27-8tert-butyl 2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetatetert-Butyl 2-(2,4-dioxothiazolidin-3-yl)acetateSCHEMBL10465762BKUAQGWOPUHCQD-UHFFFAOYSA-NACA77327AKOS027247953t-butyl 2,4-dioxothiazolidine-3-acetateEN300-200674G53435tert-Butyl2-(2,4-dioxothiazolidin-3-yl)acetateZ360516432

Show more names

(2,4-Dioxo-thiazolidin-3-yl)-acetic acid tert-butyl ester3-Thiazolidineacetic acid, 2,4-dioxo-, 1,1-dimethylethyl ester

Database identifiers

CAS: 50773-27-8
PubChem CID: 86218856
EC Number: 186-738-5

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 89 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 308

Physicochemical properties

Boiling point: 321.2 · 321.2±44.0 °C(Predicted)
Density: 1.289 · 1.289±0.06 g/cm3(Predicted)
pka: -2.67 · -2.67±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.