2,3-dimethyl 4-aminothiophene-2,3-dicarboxylate

2,3-dimethyl 4-aminothiophene-2,3-dicarboxylate

CAS: 62947-31-3

Formula: C8H9NO4S

SMILES: COC(=O)C1=C(C(=O)OC)C(N)=CS1

IUPAC: 2,3-dimethyl 4-aminothiophene-2,3-dicarboxylate

InChI: InChI=1S/C8H9NO4S/c1-12-7(10)5-4(9)3-14-6(5)8(11)13-2/h3H,9H2,1-2H3

Composition: C (44.65%), H (4.22%), N (6.51%), O (29.73%), S (14.90%)

Molar Mass: 215.22

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.025228948
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XQPDCUCAKYNVAO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.7
Topological Polar Surface Area	78.62
Polarizability	19.16
Ring Count	1
Rotatable Bond Count	4

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