Basic information
- CAS
65152-09-2- Standard SMILES
CN1CCSC1=CC=C1SC(=S)N(CC(=O)O)C1=O- InChIKey
AMSAICQWZZDCEM-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3S3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.00100577
Names & identifiers
- Preferred name
- 3-Thiazolidineacetic acid, 5-[(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-
- IUPAC
- 2-[5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Names & synonyms
65152-09-22-[5-[2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid3-Thiazolidineacetic acid, 5-[(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-5-[(3-Methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid2-[(5Z)-5-[(2E)-2-(3-methyl-1,3-thiazolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acidSCHEMBL6744224DTXSID60886746AMSAICQWZZDCEM-UHFFFAOYSA-N2-((Z)-5-((Z)-2-(3-methylthiazolidin-2-ylidene)ethylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid2-[(5Z)-5-{2-[(2Z)-3-methyl-1,3-thiazolidin-2-ylidene]ethylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acidDB-306389NS00056315
Show more names
Q27185764{5-[2-(3-METHYL-1,3-THIAZOLIDIN-2-YLIDENE)ETHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL}ACETIC ACID2-[5-[2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 501
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Thiazolidineacetic acid, 5-[2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…