1-benzyl-3-(methylsulfanylmethyl)benzene

C15H16S — CID 123343533

IUPAC1-benzyl-3-(methylsulfanylmethyl)benzene
SMILESCSCc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C15H16S/c1-16-12-15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3
InChIKeyZBAPICFCWDMFLB-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.14
Rot. Bonds4

About 1-benzyl-3-(methylsulfanylmethyl)benzene

1-benzyl-3-(methylsulfanylmethyl)benzene (PubChem CID 123343533) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-benzyl-3-(methylsulfanylmethyl)benzene.

Molecular Properties

Compound Name1-benzyl-3-(methylsulfanylmethyl)benzene
PubChem CID123343533
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name1-benzyl-3-(methylsulfanylmethyl)benzene
SMILESCSCc1cccc(Cc2ccccc2)c1
InChIInChI=1S/C15H16S/c1-16-12-15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3
InChIKeyZBAPICFCWDMFLB-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(methylsulfanylmethyl)benzene?
The IUPAC name of 1-benzyl-3-(methylsulfanylmethyl)benzene (CID 123343533) is 1-benzyl-3-(methylsulfanylmethyl)benzene.
What is the SMILES notation for 1-benzyl-3-(methylsulfanylmethyl)benzene?
The canonical SMILES for 1-benzyl-3-(methylsulfanylmethyl)benzene is CSCc1cccc(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-3-(methylsulfanylmethyl)benzene?
The InChIKey is ZBAPICFCWDMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-16-12-15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3.
What are the key properties of 1-benzyl-3-(methylsulfanylmethyl)benzene?
1-benzyl-3-(methylsulfanylmethyl)benzene has a molecular weight of 228.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(methylsulfanylmethyl)benzene is sourced from PubChem (CID 123343533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).