methyl 2-(2,6-dibromo-4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

methyl 2-(2,6-dibromo-4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

Formula: C16H11Br2NO5S

SMILES: COC(=O)COC1=C(Br)C=C(C=C2SC(=O)N(CC#C)C2=O)C=C1Br

IUPAC: methyl 2-(2,6-dibromo-4-{[(5E)-2,4-dioxo-3-(prop-2-yn-1-yl)-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate

InChI: InChI=1S/C16H11Br2NO5S/c1-3-4-19-15(21)12(25-16(19)22)7-9-5-10(17)14(11(18)6-9)24-8-13(20)23-2/h1,5-7H,4,8H2,2H3/b12-7+

Composition: C (39.29%), H (2.27%), Br (32.67%), N (2.86%), O (16.35%), S (6.55%)

Molar Mass: 489.13

Atom Count: 36

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	486.87247
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	TWKMIGJTEJUGKQ-KPKJPENVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.26
Topological Polar Surface Area	72.91
Polarizability	38.51
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H11Br2NO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00