3-butanoyl-1-(2-fluoro-5-nitrophenyl)thiourea

3-butanoyl-1-(2-fluoro-5-nitrophenyl)thiourea

Formula: C11H12FN3O3S

SMILES: CCCC(=O)NC(=S)NC1=C(F)C=CC(=C1)[N+]([O-])=O

IUPAC: 3-butanoyl-1-(2-fluoro-5-nitrophenyl)thiourea

InChI: InChI=1S/C11H12FN3O3S/c1-2-3-10(16)14-11(19)13-9-6-7(15(17)18)4-5-8(9)12/h4-6H,2-3H2,1H3,(H2,13,14,16,19)

Composition: C (46.31%), H (4.24%), F (6.66%), N (14.73%), O (16.82%), S (11.24%)

Molar Mass: 285.29

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	285.058340595
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZQGKCXHADADQLR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.92
Topological Polar Surface Area	84.27
Polarizability	26.93
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H12FN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00