methyl 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate

methyl 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate

CAS: 350992-29-9

Formula: C13H12FNO2S

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

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

InChI: InChI=1S/C13H12FNO2S/c1-7-10(8-3-5-9(14)6-4-8)11(12(15)18-7)13(16)17-2/h3-6H,15H2,1-2H3

Composition: C (58.85%), H (4.56%), F (7.16%), N (5.28%), O (12.06%), S (12.08%)

Molar Mass: 265.3

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	265.057277967
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KJVWDTHDCCQDFM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.46
Topological Polar Surface Area	52.32
Polarizability	26.93
Ring Count	2
Rotatable Bond Count	3

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