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2-amino-4-(trifluoromethyl)benzenethiol hydrochloride

2-amino-4-(trifluoromethyl)benzenethiol hydrochloride

CAS: 4274-38-8

Formula: C7H7ClF3NS

SMILES: Cl.NC1=C(S)C=CC(=C1)C(F)(F)F

IUPAC: 2-amino-4-(trifluoromethyl)benzene-1-thiol hydrochloride

InChI: InChI=1S/C7H6F3NS.ClH/c8-7(9,10)4-1-2-6(12)5(11)3-4;/h1-3,12H,11H2;1H

Composition: C (36.61%), H (3.07%), Cl (15.44%), F (24.82%), N (6.10%), S (13.96%)

Molar Mass: 229.65

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 228.9939826
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey FIAGYDIJZOWVAB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.74
Topological Polar Surface Area 26.02
Polarizability 15.68
Ring Count 1
Rotatable Bond Count 1

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