ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate

ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate

Formula: C16H15N3O7S

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

IUPAC: ethyl 2-(3,5-dinitrobenzamido)-4,5-dimethylthiophene-3-carboxylate

InChI: InChI=1S/C16H15N3O7S/c1-4-26-16(21)13-8(2)9(3)27-15(13)17-14(20)10-5-11(18(22)23)7-12(6-10)19(24)25/h5-7H,4H2,1-3H3,(H,17,20)

Composition: C (48.85%), H (3.84%), N (10.68%), O (28.47%), S (8.15%)

Molar Mass: 393.37

Atom Count: 42

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	393.063071009
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	SCPJJYNSUKYNRY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	97.37
Topological Polar Surface Area	141.68
Polarizability	35.4
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15N3O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00