(3R,5S,7s)-N-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

(3R,5S,7s)-N-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

Formula: C19H19IN2O3S2

SMILES: IC1=CC=C(O1)C=C1/SC(=S)N(NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C1=O

IUPAC: (3R,5S,7s)-N-[(5Z)-5-[(5-iodofuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]adamantane-1-carboxamide

InChI: InChI=1S/C19H19IN2O3S2/c20-15-2-1-13(25-15)6-14-16(23)22(18(26)27-14)21-17(24)19-7-10-3-11(8-19)5-12(4-10)9-19/h1-2,6,10-12H,3-5,7-9H2,(H,21,24)/b14-6-/t10-,11+,12-,19?

Composition: C (44.36%), H (3.72%), I (24.67%), N (5.45%), O (9.33%), S (12.47%)

Molar Mass: 514.4

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	513.98818
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AAIXOZPHFITWDN-VQRXIKPZSA-N
Lipinski's Rule of Five
Molar Refractivity	116.87
Topological Polar Surface Area	62.55
Polarizability	45.89
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19IN2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00