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3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]thiourea

3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]thiourea

CAS: 206559-51-5

Formula: C8H7ClF3N3S

SMILES: NNC(=S)NC1=CC(=CC=C1Cl)C(F)(F)F

IUPAC: 3-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C8H7ClF3N3S/c9-5-2-1-4(8(10,11)12)3-6(5)14-7(16)15-13/h1-3H,13H2,(H2,14,15,16)

Composition: C (35.63%), H (2.62%), Cl (13.15%), F (21.14%), N (15.58%), S (11.89%)

Molar Mass: 269.67

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 269.0001306
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 3
InChIKey MXGYRNPXMHSZKJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.85
Topological Polar Surface Area 50.08
Polarizability 22.39
Ring Count 1
Rotatable Bond Count 2

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