200,000+ products from a single source!
sales@angenechem.com
84100-34-5 | 3-Thiazolidineethanesulfonicacid, 5-[2-(1-ethyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-, potassiumsalt (1:1)
CAS No: 84100-34-5 Catalog No: AG008GY3 MDL No:
Product Description
Catalog Number:
AG008GY3
Chemical Name:
3-Thiazolidineethanesulfonicacid, 5-[2-(1-ethyl-2-pyrrolidinylidene)ethylidene]-4-oxo-2-thioxo-, potassiumsalt (1:1)
CAS Number:
84100-34-5
Molecular Formula:
C13H17KN2O4S3
Molecular Weight:
400.5784
IUPAC Name:
potassium;2-[(5E)-5-[(2Z)-2-(1-ethylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonate
InChI:
InChI=1S/C13H18N2O4S3.K/c1-2-14-7-3-4-10(14)5-6-11-12(16)15(13(20)21-11)8-9-22(17,18)19;/h5-6H,2-4,7-9H2,1H3,(H,17,18,19);/q;+1/p-1/b10-5-,11-6+;
InChI Key:
YNQPEDOIJUXVKJ-BINALKEJSA-M
SMILES:
CCN1CCCC1=CC=C1SC(=S)N(C1=O)CCS(=O)(=O)[O-].[K+]
EC Number:
282-115-8
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
399.999g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.567g/mol
Monoisotopic Mass:
399.999g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.