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2-[3-(trifluoromethyl)phenyl]ethanethioamide

2-[3-(trifluoromethyl)phenyl]ethanethioamide

CAS: 952182-78-4

Formula: C9H8F3NS

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

IUPAC: 2-[3-(trifluoromethyl)phenyl]ethanethioamide

InChI: InChI=1S/C9H8F3NS/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H2,13,14)

Composition: C (49.31%), H (3.68%), F (26.00%), N (6.39%), S (14.62%)

Molar Mass: 219.23

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 219.032954925
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 1
InChIKey OPIOQYUGUBOMCP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.15
Topological Polar Surface Area 26.02
Polarizability 19.61
Ring Count 1
Rotatable Bond Count 3

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97% <2 Days 952182-78-4 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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