2-methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate

2-methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate

CAS: 438532-72-0

Formula: C11H15NO4S

SMILES: CCCOC(=O)C1=C(N)SC(C(=O)OC)=C1C

IUPAC: 2-methyl 4-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate

InChI: InChI=1S/C11H15NO4S/c1-4-5-16-10(13)7-6(2)8(11(14)15-3)17-9(7)12/h4-5,12H2,1-3H3

Composition: C (51.35%), H (5.88%), N (5.44%), O (24.87%), S (12.46%)

Molar Mass: 257.3

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.072179141
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IFISJQMZJNEHMG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.17
Topological Polar Surface Area	78.62
Polarizability	24.55
Ring Count	1
Rotatable Bond Count	6

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