CC(=O)CC(C(=S)Cl)C(F)(F)F
الاسم: 4-oxo-2-(trifluoromethyl)pentanethioyl chloride
SMILES: CC(=O)CC(C(=S)Cl)C(F)(F)F

Molecular Processing

Molecular formula
C6H6ClF3OS
Molecular weight
218.63
Exact mass
217.978
XLogP
2.71
TPSA
17.07
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
43.29

Supplementary Information

InChIKey: SJFZYZLRGKXXPW-UHFFFAOYSA-N
مرادفات
2-trifluoromethyl-3-acetylthiopropionyl chlorideSCHEMBL74117922-trifluoromethyl-3acetylthiopropionyl chloride2-Trifluoromethyl-3-acetylthio propionyl chloride
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