1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone

C10H12FNO2S — CID 170428458

IUPAC1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone
SMILESCC(=O)c1cccc(N=S(C)(C)=O)c1F
InChIInChI=1S/C10H12FNO2S/c1-7(13)8-5-4-6-9(10(8)11)12-15(2,3)14/h4-6H,1-3H3
InChIKeyVDVGKTAZKJEMQB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.39
Rot. Bonds2

About 1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone

1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone (PubChem CID 170428458) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone
PubChem CID170428458
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone
SMILESCC(=O)c1cccc(N=S(C)(C)=O)c1F
InChIInChI=1S/C10H12FNO2S/c1-7(13)8-5-4-6-9(10(8)11)12-15(2,3)14/h4-6H,1-3H3
InChIKeyVDVGKTAZKJEMQB-UHFFFAOYSA-N
XLogP2.39
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone?
The IUPAC name of 1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone (CID 170428458) is 1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone is CC(=O)c1cccc(N=S(C)(C)=O)c1F.
What is the InChIKey of 1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone?
The InChIKey is VDVGKTAZKJEMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-7(13)8-5-4-6-9(10(8)11)12-15(2,3)14/h4-6H,1-3H3.
What are the key properties of 1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone?
1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone has a molecular weight of 229.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-fluorophenyl]ethanone is sourced from PubChem (CID 170428458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).