(5E)-5-{[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2-imino-1,3-thiazolidin-4-one

(5E)-5-{[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2-imino-1,3-thiazolidin-4-one

Formula: C14H11BrN2O3S

SMILES: COC1=CC(C=C2SC(=N)NC2=O)=CC(Br)=C1OCC#C

IUPAC: (5E)-5-{[3-bromo-5-methoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2-imino-1,3-thiazolidin-4-one

InChI: InChI=1S/C14H11BrN2O3S/c1-3-4-20-12-9(15)5-8(6-10(12)19-2)7-11-13(18)17-14(16)21-11/h1,5-7H,4H2,2H3,(H2,16,17,18)/b11-7+

Composition: C (45.79%), H (3.02%), Br (21.76%), N (7.63%), O (13.07%), S (8.73%)

Molar Mass: 367.22

Atom Count: 32

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	365.967376
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UOBSCYXCVKUNGD-YRNVUSSQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.82
Topological Polar Surface Area	71.41
Polarizability	32.26
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H11BrN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00