ethyl 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate

ethyl 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate

CAS: 350990-23-7

Formula: C17H21NO2S

SMILES: CCCC1=CC=C(C=C1)C1=C(C)SC(N)=C1C(=O)OCC

IUPAC: ethyl 2-amino-5-methyl-4-(4-propylphenyl)thiophene-3-carboxylate

InChI: InChI=1S/C17H21NO2S/c1-4-6-12-7-9-13(10-8-12)14-11(3)21-16(18)15(14)17(19)20-5-2/h7-10H,4-6,18H2,1-3H3

Composition: C (67.30%), H (6.98%), N (4.62%), O (10.55%), S (10.57%)

Molar Mass: 303.42

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	303.129300094
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QVJPHFBYPVFGBC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	88.23
Topological Polar Surface Area	52.32
Polarizability	34.55
Ring Count	2
Rotatable Bond Count	6

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