[methylsulfanyl(phenyl)methyl]benzene

C14H14S — CID 597507

IUPAC[methylsulfanyl(phenyl)methyl]benzene
SMILESCSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14S/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKeyJQPDEBVXMCQJAJ-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.14
Rot. Bonds3

About [methylsulfanyl(phenyl)methyl]benzene

[methylsulfanyl(phenyl)methyl]benzene (PubChem CID 597507) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is [methylsulfanyl(phenyl)methyl]benzene.

Molecular Properties

Compound Name[methylsulfanyl(phenyl)methyl]benzene
PubChem CID597507
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name[methylsulfanyl(phenyl)methyl]benzene
SMILESCSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14S/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKeyJQPDEBVXMCQJAJ-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [methylsulfanyl(phenyl)methyl]benzene?
The IUPAC name of [methylsulfanyl(phenyl)methyl]benzene (CID 597507) is [methylsulfanyl(phenyl)methyl]benzene.
What is the SMILES notation for [methylsulfanyl(phenyl)methyl]benzene?
The canonical SMILES for [methylsulfanyl(phenyl)methyl]benzene is CSC(c1ccccc1)c1ccccc1.
What is the InChIKey of [methylsulfanyl(phenyl)methyl]benzene?
The InChIKey is JQPDEBVXMCQJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3.
What are the key properties of [methylsulfanyl(phenyl)methyl]benzene?
[methylsulfanyl(phenyl)methyl]benzene has a molecular weight of 214.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methylsulfanyl(phenyl)methyl]benzene is sourced from PubChem (CID 597507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).