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

C8H10FNOS — CID 125424651

IUPAC(4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=[S@](C)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H10FNOS/c1-10-12(2,11)8-5-3-7(9)4-6-8/h3-6H,1-2H3/t12-/m1/s1
InChIKeyMHNHQQDWCSFBMZ-GFCCVEGCSA-N
MW187.24 g/mol
LogP1.91
Rot. Bonds1

About (4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane

(4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane (PubChem CID 125424651) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is (4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane
PubChem CID125424651
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name(4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=[S@](C)(=O)c1ccc(F)cc1
InChIInChI=1S/C8H10FNOS/c1-10-12(2,11)8-5-3-7(9)4-6-8/h3-6H,1-2H3/t12-/m1/s1
InChIKeyMHNHQQDWCSFBMZ-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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Related Compounds

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CID 59674088
(4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane
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methyl-methylimino-oxo-phenyl-lambda6-sulfane
CID 519772
gallium tris(4-fluorobenzenesulfonate)
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CID 87503782
(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
4-carbamimidoyl-N-[(4-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]benzamide
CID 139473417
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
3-(4-fluorophenyl)sulfonyloxybutan-2-yl 4-fluorobenzenesulfonate
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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane?
The IUPAC name of (4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane (CID 125424651) is (4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane.
What is the SMILES notation for (4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane?
The canonical SMILES for (4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane is CN=[S@](C)(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane?
The InChIKey is MHNHQQDWCSFBMZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C8H10FNOS/c1-10-12(2,11)8-5-3-7(9)4-6-8/h3-6H,1-2H3/t12-/m1/s1.
What are the key properties of (4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane?
(4-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 (4-fluorophenyl)-methyl-methylimino-oxo-λ6-sulfane is sourced from PubChem (CID 125424651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).