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

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

CAS: 20069-30-1

Formula: C8H8F3N3S

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

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

InChI: InChI=1S/C8H8F3N3S/c9-8(10,11)5-2-1-3-6(4-5)13-7(15)14-12/h1-4H,12H2,(H2,13,14,15)

Composition: C (40.85%), H (3.43%), F (24.23%), N (17.86%), S (13.63%)

Molar Mass: 235.23

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.039102933
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	3
InChIKey	KDDAUQBQXBHUPJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.05
Topological Polar Surface Area	50.08
Polarizability	20.41
Ring Count	1
Rotatable Bond Count	2

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