1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene

C14H14OS2 — CID 85239919

IUPAC1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene
SMILESCSc1ccc(-c2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C14H14OS2/c1-16-13-7-3-11(4-8-13)12-5-9-14(10-6-12)17(2)15/h3-10H,1-2H3
InChIKeyZMWWHMUOLXQHDN-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.81
Rot. Bonds3

About 1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene

1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene (PubChem CID 85239919) has the molecular formula C14H14OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene
PubChem CID85239919
Molecular FormulaC14H14OS2
Molecular Weight262.40 g/mol
Exact Mass262.05
IUPAC Name1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene
SMILESCSc1ccc(-c2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C14H14OS2/c1-16-13-7-3-11(4-8-13)12-5-9-14(10-6-12)17(2)15/h3-10H,1-2H3
InChIKeyZMWWHMUOLXQHDN-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene?
The IUPAC name of 1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene (CID 85239919) is 1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene.
What is the SMILES notation for 1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene?
The canonical SMILES for 1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene is CSc1ccc(-c2ccc(S(C)=O)cc2)cc1.
What is the InChIKey of 1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene?
The InChIKey is ZMWWHMUOLXQHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS2/c1-16-13-7-3-11(4-8-13)12-5-9-14(10-6-12)17(2)15/h3-10H,1-2H3.
What are the key properties of 1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene?
1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene has a molecular weight of 262.40 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene is sourced from PubChem (CID 85239919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).