CAS 2682-49-7 2-Thiazolidinone (HCID 97431)

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Basic information

CAS: 2682-49-7
Standard SMILES: O=C1NCCS1
InChIKey: SLYRGJDSFOCAAI-UHFFFAOYSA-N
Molecular formula: C3H5NOS
Average molar mass: 103.15 g/mol
Monoisotopic mass: 103.00918478

Names & identifiers

Preferred name: 2-Thiazolidinone
IUPAC: 1,3-thiazolidin-2-one
English name: 1,3-Thiazolidin-2-one
Molecular formula: C3H5NOS
Molecular weight: 103.14

Names & synonyms

2682-49-72-Thiazolidinone1,3-thiazolidin-2-oneOxothiazolidine2-oxothiazolidineUNII-M6U1ZG59XDM6U1ZG59XDNSC 122613NSC-122613DTXSID8074815OTZ 100 (PRO-TAURINE)RefChem:89443

Show more names

HOMTThiazolidine-2-one3-THIAZOLIDIN-2-ONEplant growth Modifier

OXOTHIAZOLIDINE [INCI]DTXCID0037572608-003-4Thiazolidin-2-one1,3-Thiazolan-2-oneMFCD01332388Thiazolidonehydroxythiazoline

Database identifiers

CAS: 2682-49-7
PubChem CID: 97431
DTXSID: DTXSID8074815
UNII: M6U1ZG59XD
EC Number: 474-200-5、608-003-4
Nikkaji: J134.976G

Properties

Computed structural properties

XLogP: 0.3
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: 73.2

Physicochemical properties

Melting point: 53 · 53-54℃
Boiling point: 160 ℃ · 160℃ (20 TORR)
Density: 1.277 · 1.277
storage temp.: Sealed in dry,Room Temperature
solubility: Acetonitrile (Slightly), Chloroform (Slightly)
pka: 12.78 · 12.78±0.20(Predicted)
form: Solid
color: Off-White
Cosmetics Ingredients Functions: SKIN PROTECTING
InChI: InChI=1S/C3H5NOS/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
InChIKey: SLYRGJDSFOCAAI-UHFFFAOYSA-N
SMILES: S1CCNC1=O
FDA UNII: 6 U1ZG59XD · M6U1ZG59XD
EPA Substance Registry System: 2 · 2-Thiazolidinone (2682-49-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 19-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8834

Hazard Classes and CategoriesAcute Tox. 4 (75%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H319-H335-H302+H312+H332-H315
REACH Registrations: Inactive
Precautionary statements: P280-P301+P312-P362+P364

Chemistry & industry

Applications

Uses2-Thiazolidinone is used in the synthesis of (S)-4-iso-butylthiazolidin-2-one and (S)-4-benzylthiazolidin-2-one that show inhibitive activities against Candida albicans and Escherichia coli.

Useslythidathion intermedia; agriculture intermedia;fosthiazate; lythidathion; fungicide;pesticide;plant growth modifier