3-(2-methylprop-2-en-1-yl)-1-[3-(trifluoromethyl)phenyl]thiourea

3-(2-methylprop-2-en-1-yl)-1-[3-(trifluoromethyl)phenyl]thiourea

Formula: C12H13F3N2S

SMILES: CC(=C)CNC(=S)NC1=CC=CC(=C1)C(F)(F)F

IUPAC: 3-(2-methylprop-2-en-1-yl)-1-[3-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C12H13F3N2S/c1-8(2)7-16-11(18)17-10-5-3-4-9(6-10)12(13,14)15/h3-6H,1,7H2,2H3,(H2,16,17,18)

Composition: C (52.54%), H (4.78%), F (20.78%), N (10.21%), S (11.69%)

Molar Mass: 274.31

Atom Count: 31

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	274.07515409
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	2
InChIKey	OCIQICOBRHCWHH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.9
Topological Polar Surface Area	24.06
Polarizability	25.98
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H13F3N2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00