methyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate

methyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate

CAS: 350990-17-9

Formula: C15H17NO2S

SMILES: COC(=O)C1=C(N)SC(C)=C1C1=CC(C)=CC=C1C

IUPAC: methyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate

InChI: InChI=1S/C15H17NO2S/c1-8-5-6-9(2)11(7-8)12-10(3)19-14(16)13(12)15(17)18-4/h5-7H,16H2,1-4H3

Composition: C (65.43%), H (6.22%), N (5.09%), O (11.62%), S (11.64%)

Molar Mass: 275.37

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	275.097999965
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FINVIYWCFKWHBK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	79.32
Topological Polar Surface Area	52.32
Polarizability	30.78
Ring Count	2
Rotatable Bond Count	2

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