(2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane

C8H10FNOS — CID 125424706

IUPAC(2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=[S@](C)(=O)c1ccccc1F
InChIInChI=1S/C8H10FNOS/c1-10-12(2,11)8-6-4-3-5-7(8)9/h3-6H,1-2H3/t12-/m1/s1
InChIKeyONUMHHIGFAPVFR-GFCCVEGCSA-N
MW187.24 g/mol
LogP1.91
Rot. Bonds1

About (2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane

(2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane (PubChem CID 125424706) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is (2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane
PubChem CID125424706
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name(2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=[S@](C)(=O)c1ccccc1F
InChIInChI=1S/C8H10FNOS/c1-10-12(2,11)8-6-4-3-5-7(8)9/h3-6H,1-2H3/t12-/m1/s1
InChIKeyONUMHHIGFAPVFR-GFCCVEGCSA-N
XLogP1.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane?
The IUPAC name of (2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane (CID 125424706) is (2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane.
What is the SMILES notation for (2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane?
The canonical SMILES for (2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane is CN=[S@](C)(=O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane?
The InChIKey is ONUMHHIGFAPVFR-GFCCVEGCSA-N. The full InChI is InChI=1S/C8H10FNOS/c1-10-12(2,11)8-6-4-3-5-7(8)9/h3-6H,1-2H3/t12-/m1/s1.
What are the key properties of (2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane?
(2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane has a molecular weight of 187.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane is sourced from PubChem (CID 125424706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).