methylsulfinylmethane;phenol

C14H18O3S — CID 70282164

IUPACmethylsulfinylmethane;phenol
SMILESCS(C)=O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C2H6OS/c2*7-6-4-2-1-3-5-6;1-4(2)3/h2*1-5,7H;1-2H3
InChIKeyPHZUURXPXTVYIX-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.78
Rot. Bonds

About methylsulfinylmethane;phenol

methylsulfinylmethane;phenol (PubChem CID 70282164) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is methylsulfinylmethane;phenol.

Molecular Properties

Compound Namemethylsulfinylmethane;phenol
PubChem CID70282164
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Namemethylsulfinylmethane;phenol
SMILESCS(C)=O.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.C2H6OS/c2*7-6-4-2-1-3-5-6;1-4(2)3/h2*1-5,7H;1-2H3
InChIKeyPHZUURXPXTVYIX-UHFFFAOYSA-N
XLogP2.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;phenol?
The IUPAC name of methylsulfinylmethane;phenol (CID 70282164) is methylsulfinylmethane;phenol.
What is the SMILES notation for methylsulfinylmethane;phenol?
The canonical SMILES for methylsulfinylmethane;phenol is CS(C)=O.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of methylsulfinylmethane;phenol?
The InChIKey is PHZUURXPXTVYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.C2H6OS/c2*7-6-4-2-1-3-5-6;1-4(2)3/h2*1-5,7H;1-2H3.
What are the key properties of methylsulfinylmethane;phenol?
methylsulfinylmethane;phenol has a molecular weight of 266.36 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;phenol is sourced from PubChem (CID 70282164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).