Basic information
- CAS
63149-26-8- Standard SMILES
C1CCNCC1.CCN1C(=O)C(=C2C=CN(CCCCS(=O)(=O)O)C=C2)SC1=S- InChIKey
WMVWHWJVBQJHAN-UHFFFAOYSA-N- Molecular formula
- C14H18N2O4S3.C5H11N
- Average molar mass
- 459.7 g/mol
- Monoisotopic mass
- 459.13201994
Names & identifiers
- Preferred name
- 1(4H)-Pyridinebutanesulfonic acid, 4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-, compd. with piperidine (1:1)
- IUPAC
- 4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1-pyridinyl]butane-1-sulfonic acid;piperidine
Names & synonyms
EINECS 263-963-863149-26-8DTXSID10886554RefChem:70715DTXCID5010258784-(3-Ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-4H-pyridine-1-butanesulphonic acid, compound with piperidine (1:1)4-[4-(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyridin-1(4H)-yl]butane-1-sulfonic acid--piperidine (1/1)
Database identifiers
- CAS
63149-26-8- PubChem CID
- 112620
- DTXSID
DTXSID10886554- EC Number
- 263-963-8
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 704
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1(4H)-Pyridinebutanesulfonic acid, 4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-, compound with piperidine (1:1)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1(4H)-Pyridinebutanesulfonic acid, 4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-, compd. with piperidine (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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