2-ethoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzenesulfonate

2-ethoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzenesulfonate

Formula: C21H19NO5S3

SMILES: CCOC1=CC(C=C2/SC(=S)N(CC=C)C2=O)=CC=C1OS(=O)(=O)C1=CC=CC=C1

IUPAC: 2-ethoxy-4-{[(5Z)-4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl benzenesulfonate

InChI: InChI=1S/C21H19NO5S3/c1-3-12-22-20(23)19(29-21(22)28)14-15-10-11-17(18(13-15)26-4-2)27-30(24,25)16-8-6-5-7-9-16/h3,5-11,13-14H,1,4,12H2,2H3/b19-14-

Composition: C (54.65%), H (4.15%), N (3.03%), O (17.33%), S (20.84%)

Molar Mass: 461.57

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	461.042536238
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YWOHRJUTNWHYMO-RGEXLXHISA-N
Lipinski's Rule of Five
Molar Refractivity	124.37
Topological Polar Surface Area	72.91
Polarizability	48.51
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H19NO5S3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00