(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane

C7H7FO2S2 — CID 151287541

IUPAC(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESO=S(O)(=S)Cc1ccc(F)cc1
InChIInChI=1S/C7H7FO2S2/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H,9,10,11)
InChIKeyISVOQWIIEAALQR-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.54
Rot. Bonds2

About (4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane

(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane (PubChem CID 151287541) has the molecular formula C7H7FO2S2 and a molecular weight of 206.26 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
PubChem CID151287541
Molecular FormulaC7H7FO2S2
Molecular Weight206.26 g/mol
Exact Mass205.99
IUPAC Name(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESO=S(O)(=S)Cc1ccc(F)cc1
InChIInChI=1S/C7H7FO2S2/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H,9,10,11)
InChIKeyISVOQWIIEAALQR-UHFFFAOYSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)methanesulfonamide
CID 16785078
potassium;(4-fluorophenyl)methanesulfonamide;hydride
CID 175451453
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
1-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]methanesulfonamide
CID 115902929
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631615
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 30400180
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
2-[(4-fluorophenyl)methylsulfonyl]pyrimidine
CID 134097933

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of (4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane (CID 151287541) is (4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for (4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for (4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane is O=S(O)(=S)Cc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is ISVOQWIIEAALQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2S2/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2,(H,9,10,11).
What are the key properties of (4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane?
(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 206.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 151287541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).