ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate

ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate

CAS: 4815-24-1

Formula: C9H13NO2S

SMILES: CCOC(=O)C1=C(N)SC(C)=C1C

IUPAC: ethyl 2-amino-4,5-dimethylthiophene-3-carboxylate

InChI: InChI=1S/C9H13NO2S/c1-4-12-9(11)7-5(2)6(3)13-8(7)10/h4,10H2,1-3H3

Composition: C (54.25%), H (6.58%), N (7.03%), O (16.06%), S (16.09%)

Molar Mass: 199.27

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.066699837
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JYSDXODDWAQWJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.9
Topological Polar Surface Area	52.32
Polarizability	19.95
Ring Count	1
Rotatable Bond Count	3

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