3-Thiazolidineacetic acid, 4-oxo-2-thioxo-

HCID 79793
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Basic information

CAS
5718-83-2
Standard SMILES
O=C(O)CN1C(=O)CSC1=S
InChIKey
JGRMXPSUZIYDRR-UHFFFAOYSA-N
Molecular formula
C5H5NO3S2
Average molar mass
191.2 g/mol
Monoisotopic mass
190.97108502

Names & identifiers

Preferred name
3-Thiazolidineacetic acid, 4-oxo-2-thioxo-
IUPAC
2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
English name
Rhodanine-3-acetic acid
Molecular formula
C5H5NO3S2
Molecular weight
191.23

Names & synonyms

5718-83-2Rhodanine-3-acetic acid3-Thiazolidineacetic acid, 4-oxo-2-thioxo-3-(Carboxymethyl)rhodanineNSC 40450EINECS 227-220-1DTXSID1063986RefChem:95461DTXCID9042178JGRMXPSUZIYDRR-UHFFFAOYSA-NRhodanine-N-acetic acid2-(4-oxo-2-thioxothiazolidin-3-yl)acetic acid
Show more names
Epa－intBAURORA 4784AKOS B023269AKOS BBS-00002149TIMTEC-BB SBB003632IFLAB-BB F1074-0188Rhodanine acetic acidOTAVA-BB BB0123270317Rhodanine-3-aceticaci
3-Rhodanineacetic acidN-CARBOXYMETHYLRHODANINE4-Oxo-2-thioxo-3-thiazolidinylacetic acid2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acidN-(Carboxymethyl)rhodanine4-Oxo-2-thioxo-3-thiazolidineacetic acidMFCD00005491(4-Oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid

Database identifiers

CAS
5718-83-2
PubChem CID
79793
DTXSID
DTXSID1063986
ChEMBL
CHEMBL224441
EC Number
227-220-1
Nikkaji
J41.428J

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
115 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Solubility>28.7 [ug/mL] (The mean of the results at pH 7.4)
Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
145 · 145-148 °C (lit.)
Boiling point
375.4 · 375.4±44.0 °C(Predicted)
Density
1.492 · 1.492 (estimate)
refractive index
1.548 · 1.5480 (estimate)
storage temp.
Sealed in dry,Room Temperature
solubility
25 mg/mL, · methanol: soluble25mg/mL, clear, yellow

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)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information3-Thiazolidineacetic acid, 4-oxo-2-thioxo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
10-23
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
hs_code
29341000
risk_code
36/37/38-41

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3-Thiazolidineacetic acid, 4-oxo-2-thioxo-: ACTIVE

Applications

Uses3-Rhodanineacetic Acid is an inhibitor for copper corrosion in acidic media.

Upstream & downstream products

Downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]

Related reactions

97 records
New reaction record

Compound notes

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