ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate

ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate

CAS: 43028-63-3

Formula: C9H12N2O3S

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

IUPAC: ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C9H12N2O3S/c1-3-14-9(13)5-4(2)6(7(10)12)15-8(5)11/h3,11H2,1-2H3,(H2,10,12)

Composition: C (47.36%), H (5.30%), N (12.27%), O (21.03%), S (14.05%)

Molar Mass: 228.27

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.056863428
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KZNNKLUXBNFFLZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.7
Topological Polar Surface Area	95.41
Polarizability	21.14
Ring Count	1
Rotatable Bond Count	4

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