1-(4-chlorophenyl)-3-(4-fluorophenyl)thiourea

1-(4-chlorophenyl)-3-(4-fluorophenyl)thiourea

CAS: 370-26-3

Formula: C13H10ClFN2S

SMILES: FC1=CC=C(NC(=S)NC2=CC=C(Cl)C=C2)C=C1

IUPAC: 1-(4-chlorophenyl)-3-(4-fluorophenyl)thiourea

InChI: InChI=1S/C13H10ClFN2S/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18)

Composition: C (55.62%), H (3.59%), Cl (12.63%), F (6.77%), N (9.98%), S (11.42%)

Molar Mass: 280.75

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.0237254
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	2
InChIKey	NIPYHMPCDVJZQR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.06
Topological Polar Surface Area	24.06
Polarizability	28.97
Ring Count	2
Rotatable Bond Count	2

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