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5-fluoro-2-methylphenylthiourea

5-fluoro-2-methylphenylthiourea

CAS: 16822-86-9

Formula: C8H9FN2S

SMILES: CC1=C(NC(N)=S)C=C(F)C=C1

IUPAC: (5-fluoro-2-methylphenyl)thiourea

InChI: InChI=1S/C8H9FN2S/c1-5-2-3-6(9)4-7(5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)

Composition: C (52.16%), H (4.92%), F (10.31%), N (15.21%), S (17.40%)

Molar Mass: 184.23

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 184.047047635
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 2
InChIKey NZTMKTPFNGHTJG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.85
Topological Polar Surface Area 38.05
Polarizability 19.3
Ring Count 1
Rotatable Bond Count 1

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