3,4-diethyl 2,5-bis(3,5-dinitrobenzamido)thiophene-3,4-dicarboxylate

3,4-diethyl 2,5-bis(3,5-dinitrobenzamido)thiophene-3,4-dicarboxylate

Formula: C24H18N6O14S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)SC(NC(=O)C2=CC(=CC(=C2)[N+]([O-])=O)[N+]([O-])=O)=C1C(=O)OCC

IUPAC: 3,4-diethyl 2,5-bis(3,5-dinitrobenzamido)thiophene-3,4-dicarboxylate

InChI: InChI=1S/C24H18N6O14S/c1-3-43-23(33)17-18(24(34)44-4-2)22(26-20(32)12-7-15(29(39)40)10-16(8-12)30(41)42)45-21(17)25-19(31)11-5-13(27(35)36)9-14(6-11)28(37)38/h5-10H,3-4H2,1-2H3,(H,25,31)(H,26,32)

Composition: C (44.59%), H (2.81%), N (13.00%), O (34.65%), S (4.96%)

Molar Mass: 646.5

Atom Count: 63

Heavy Atom Count: 45

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	646.060170458
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	2
InChIKey	FNKCUPHECPTCHT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	151.38
Topological Polar Surface Area	283.36
Polarizability	54.95
Ring Count	3
Rotatable Bond Count	14

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H18N6O14S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00