hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane

C7H8O3S2 — CID 54397585

IUPAChydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane
SMILESCc1ccc(OS(=O)(O)=S)cc1
InChIInChI=1S/C7H8O3S2/c1-6-2-4-7(5-3-6)10-12(8,9)11/h2-5H,1H3,(H,8,9,11)
InChIKeyVLCNDLCHCDNDGQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.51
Rot. Bonds2

About hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane

hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane (PubChem CID 54397585) has the molecular formula C7H8O3S2 and a molecular weight of 204.27 g/mol. Its IUPAC name is hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane
PubChem CID54397585
Molecular FormulaC7H8O3S2
Molecular Weight204.27 g/mol
Exact Mass203.99
IUPAC Namehydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane
SMILESCc1ccc(OS(=O)(O)=S)cc1
InChIInChI=1S/C7H8O3S2/c1-6-2-4-7(5-3-6)10-12(8,9)11/h2-5H,1H3,(H,8,9,11)
InChIKeyVLCNDLCHCDNDGQ-UHFFFAOYSA-N
XLogP1.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenoxy)-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 88814973
sulfuric acid;1,4-xylene
CID 18423372
sodium;hydride;4-(4-methylphenyl)sulfonyloxybenzenesulfonic acid
CID 173121186
1,1,2,2,3,3-hexafluoro-3-(4-methylphenoxy)sulfonylpropane-1-sulfonic acid
CID 58364139
sulfurothioic O-acid;toluene
CID 174461013
(4-methylsulfonylphenyl) 4-methylbenzenesulfonate
CID 20811037
3-methyl-4-(4-methylphenoxy)butane-2-sulfonic acid
CID 142364176
N-ethylidenehydroxylamine;4-(4-methylphenyl)sulfonyloxybenzenesulfonic acid
CID 158855514
4-methylbenzenesulfonic acid
CID 157221593
(4-methylphenyl) trifluoromethanesulfonate;thiolane
CID 162622940
(4-methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 13168749
methanesulfonic acid;1-[4-(4-methylphenoxy)phenyl]ethanone
CID 90969067

Frequently Asked Questions

What is the IUPAC name of hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane (CID 54397585) is hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane is Cc1ccc(OS(=O)(O)=S)cc1.
What is the InChIKey of hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is VLCNDLCHCDNDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S2/c1-6-2-4-7(5-3-6)10-12(8,9)11/h2-5H,1H3,(H,8,9,11).
What are the key properties of hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane?
hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 204.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(4-methylphenoxy)-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 54397585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).