hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane

C13H12O2S2 — CID 141029330

IUPAChydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane
SMILESCc1ccccc1-c1ccc(S(=O)(O)=S)cc1
InChIInChI=1S/C13H12O2S2/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H,14,15,16)
InChIKeyQPPPBTHOZTXCBQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.24
Rot. Bonds2

About hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane

hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane (PubChem CID 141029330) has the molecular formula C13H12O2S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane
PubChem CID141029330
Molecular FormulaC13H12O2S2
Molecular Weight264.37 g/mol
Exact Mass264.03
IUPAC Namehydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane
SMILESCc1ccccc1-c1ccc(S(=O)(O)=S)cc1
InChIInChI=1S/C13H12O2S2/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H,14,15,16)
InChIKeyQPPPBTHOZTXCBQ-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
N-[4-(2-methylphenyl)phenyl]methanesulfonamide
CID 59877138
1-methyl-2-[4-(methylsulfonylmethyl)phenyl]benzene
CID 166231145
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
4-(2-chlorophenyl)benzenesulfonic acid
CID 82134205
sulfuric acid;bis(1,2-xylene)
CID 174805286
4-(2-sulfanylphenyl)benzenesulfonic acid;zinc
CID 175279656
2-methyl-6-phenylbenzenesulfonic acid
CID 23031918
sulfurothioic O-acid;toluene
CID 174461013

Frequently Asked Questions

What is the IUPAC name of hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane (CID 141029330) is hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane is Cc1ccccc1-c1ccc(S(=O)(O)=S)cc1.
What is the InChIKey of hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is QPPPBTHOZTXCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S2/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H,14,15,16).
What are the key properties of hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane?
hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 264.37 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[4-(2-methylphenyl)phenyl]-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 141029330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).