3-(3-methylbutanoyl)-1-[3-(trifluoromethyl)phenyl]thiourea

3-(3-methylbutanoyl)-1-[3-(trifluoromethyl)phenyl]thiourea

Formula: C13H15F3N2OS

SMILES: CC(C)CC(=O)NC(=S)NC1=CC=CC(=C1)C(F)(F)F

IUPAC: 3-(3-methylbutanoyl)-1-[3-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C13H15F3N2OS/c1-8(2)6-11(19)18-12(20)17-10-5-3-4-9(7-10)13(14,15)16/h3-5,7-8H,6H2,1-2H3,(H2,17,18,19,20)

Composition: C (51.31%), H (4.97%), F (18.73%), N (9.21%), O (5.26%), S (10.53%)

Molar Mass: 304.33

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	304.085718774
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	XBBYBJYWNLZJHX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.9
Topological Polar Surface Area	41.13
Polarizability	28.2
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H15F3N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00