1-[3,5-bis(trifluoromethyl)phenyl]-3-(prop-2-en-1-yl)thiourea

1-[3,5-bis(trifluoromethyl)phenyl]-3-(prop-2-en-1-yl)thiourea

Formula: C12H10F6N2S

SMILES: FC(F)(F)C1=CC(=CC(NC(=S)NCC=C)=C1)C(F)(F)F

IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-3-(prop-2-en-1-yl)thiourea

InChI: InChI=1S/C12H10F6N2S/c1-2-3-19-10(21)20-9-5-7(11(13,14)15)4-8(6-9)12(16,17)18/h2,4-6H,1,3H2,(H2,19,20,21)

Composition: C (43.91%), H (3.07%), F (34.72%), N (8.53%), S (9.77%)

Molar Mass: 328.28

Atom Count: 31

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	328.046888482
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	2
InChIKey	GASTZCPNGDNQDL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.6
Topological Polar Surface Area	24.06
Polarizability	25.56
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H10F6N2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00