methyl 3-amino-4-(4-fluorophenyl)thiophene-2-carboxylate

methyl 3-amino-4-(4-fluorophenyl)thiophene-2-carboxylate

Formula: C12H10FNO2S

SMILES: COC(=O)C1=C(N)C(=CS1)C1=CC=C(F)C=C1

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

InChI: InChI=1S/C12H10FNO2S/c1-16-12(15)11-10(14)9(6-17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3

Composition: C (57.36%), H (4.01%), F (7.56%), N (5.57%), O (12.73%), S (12.76%)

Molar Mass: 251.28

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	251.041627903
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BCIWGFJWPIUCEF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.03
Topological Polar Surface Area	52.32
Polarizability	25.16
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H10FNO2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00