(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

Phenylmethylsulfonyl Fluoride
CID 4784
Benzylsulfonic acid
CID 7532
Phenylmethanesulfonyl chloride
CID 74740
p-Fluorotoluene-alpha-thiol
CID 85171
Phenylmethanesulfinic acid
CID 3311411
Sulfinylmethylbenzene
CID 639688
Sodium benzylsulfonate
CID 23668604
(E)-2-phenylethene-1-sulfonyl chloride
CID 5369377
Fluoro(phenyl)methanesulfonamide
CID 11355950
3-Phenylpropane-1-sulfonyl fluoride
CID 25017076
4-Phenylbutane-1-sulfonyl fluoride
CID 71452049
Ethenesulfonyl fluoride, 2-phenyl-
CID 5357730

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).