RefChem:70715

4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-1-pyridinyl]butane-1-sulfonic acid;piperidine

Also Known As: EINECS 263-963-8|KST-1B6831|1(4H)-Pyridinebutanesulfonic acid, 4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-, compd. with piperidine (1:1)|1(4h)-pyridinebutanesulfonic acid, 4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-, compd. with piperidine(1:1)|Sodium spiro(2,5-dimethyl-3-ethylcyclopentane barbiturate)|4-(3-Ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-4H-pyridine-1-butanesulphonic acid, compound with piperidine (1:1)|Sodium 1,4-dimethyl-2-ethyl-7,9-diazaspiro(4.5)decane-6,8,10-trione|7,9-Diazaspiro(4.5)decane-6,8,10-trione, 1,4-dimethyl-2-ethyl-, sodium salt|7,9-Diazaspiro[4.5]decane-6,8,10-trione, 2-ethyl-1,4-dimethyl-, monosodium salt|Sodium spiro(2',5'-dimethyl-3'-ethylcyclopentane)-5,5-pyrimidine-2,4,6-trione|1(4H)-Pyridinebutanesulfonic acid, 4-(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)-, 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)|4-[4-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyridin-1-yl]butane-1-sulfonic acid; piperidine

Molecular Formula	C19H29N3O4S3
Molecular Weight	459.13202 g/mol
LogP	2.89
Topological Polar Surface Area	89.95 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	459.13202
Heavy Atoms	29
Complexity	759.0

Chemical Identifiers

CAS Number	63149-26-8
SMILES	CCN1C(=O)C(=C2C=CN(C=C2)CCCCS(=O)(=O)O)SC1=S.C1CCNCC1