1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene

C16H18OS2 — CID 139755636

IUPAC1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene
SMILESCSc1ccc(COCc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H18OS2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyPHAXMOMYDAKRSL-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.85
Rot. Bonds6

About 1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene

1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene (PubChem CID 139755636) has the molecular formula C16H18OS2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene.

Molecular Properties

Compound Name1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene
PubChem CID139755636
Molecular FormulaC16H18OS2
Molecular Weight290.45 g/mol
Exact Mass290.08
IUPAC Name1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene
SMILESCSc1ccc(COCc2ccc(SC)cc2)cc1
InChIInChI=1S/C16H18OS2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyPHAXMOMYDAKRSL-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene?
The IUPAC name of 1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene (CID 139755636) is 1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene.
What is the SMILES notation for 1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene?
The canonical SMILES for 1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene is CSc1ccc(COCc2ccc(SC)cc2)cc1.
What is the InChIKey of 1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene?
The InChIKey is PHAXMOMYDAKRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OS2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene?
1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene has a molecular weight of 290.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-4-[(4-methylsulfanylphenyl)methoxymethyl]benzene is sourced from PubChem (CID 139755636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).