5-benzyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione

5-benzyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione

Formula: C16H15ClFN3S

SMILES: FC1=CC=C(C=C1Cl)N1CN(CC2=CC=CC=C2)CNC1=S

IUPAC: 5-benzyl-1-(3-chloro-4-fluorophenyl)-1,3,5-triazinane-2-thione

InChI: InChI=1S/C16H15ClFN3S/c17-14-8-13(6-7-15(14)18)21-11-20(10-19-16(21)22)9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,19,22)

Composition: C (57.22%), H (4.50%), Cl (10.56%), F (5.66%), N (12.51%), S (9.55%)

Molar Mass: 335.83

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	335.0659245
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	PCROMJZZBMZTRA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.9
Topological Polar Surface Area	18.51
Polarizability	35.33
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15ClFN3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00