ethyl 2-(2-cyanoacetamido)-4-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-(2-cyanoacetamido)-4-ethyl-5-methylthiophene-3-carboxylate

CAS: 549542-87-2

Formula: C13H16N2O3S

SMILES: CCOC(=O)C1=C(NC(=O)CC#N)SC(C)=C1CC

IUPAC: ethyl 2-(2-cyanoacetamido)-4-ethyl-5-methylthiophene-3-carboxylate

InChI: InChI=1S/C13H16N2O3S/c1-4-9-8(3)19-12(15-10(16)6-7-14)11(9)13(17)18-5-2/h4-6H2,1-3H3,(H,15,16)

Composition: C (55.70%), H (5.75%), N (9.99%), O (17.12%), S (11.44%)

Molar Mass: 280.34

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	280.088163557
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WRVPWOZGVSJQSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.98
Topological Polar Surface Area	79.19
Polarizability	27.28
Ring Count	1
Rotatable Bond Count	6

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	549542-87-2		$269.51$269.51