1-benzyl-4-methylsulfanylbenzene

C14H14S — CID 23524923

IUPAC1-benzyl-4-methylsulfanylbenzene
SMILESCSc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H14S/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyOHRNPHXCJWZORM-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.00
Rot. Bonds3

About 1-benzyl-4-methylsulfanylbenzene

1-benzyl-4-methylsulfanylbenzene (PubChem CID 23524923) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-benzyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-benzyl-4-methylsulfanylbenzene
PubChem CID23524923
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name1-benzyl-4-methylsulfanylbenzene
SMILESCSc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H14S/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyOHRNPHXCJWZORM-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-methylsulfanylbenzene;ethene
CID 144850649
1-benzyl-4-methylsulfanylbenzene;but-2-yne
CID 144850170
1-benzyl-3-methylsulfanylbenzene
CID 54461240
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449
1-(chloromethyl)-2-[(4-methylsulfanylphenyl)methyl]benzene
CID 154098209
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
N-benzyl-2-(4-methylsulfanylphenyl)ethanamine
CID 102197359
1-benzyl-4-(4-phenylphenyl)sulfanylbenzene
CID 59163536
1-ethyl-4-methylsulfanylbenzene
CID 142218139
(4-benzylphenyl)-dimethylsulfanium
CID 160994584

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylsulfanylbenzene?
The IUPAC name of 1-benzyl-4-methylsulfanylbenzene (CID 23524923) is 1-benzyl-4-methylsulfanylbenzene.
What is the SMILES notation for 1-benzyl-4-methylsulfanylbenzene?
The canonical SMILES for 1-benzyl-4-methylsulfanylbenzene is CSc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-methylsulfanylbenzene?
The InChIKey is OHRNPHXCJWZORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 1-benzyl-4-methylsulfanylbenzene?
1-benzyl-4-methylsulfanylbenzene has a molecular weight of 214.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylsulfanylbenzene is sourced from PubChem (CID 23524923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).