1-methyl-4-(1-phenylethylsulfanyl)benzene

C15H16S — CID 13049765

IUPAC1-methyl-4-(1-phenylethylsulfanyl)benzene
SMILESCc1ccc(SC(C)c2ccccc2)cc1
InChIInChI=1S/C15H16S/c1-12-8-10-15(11-9-12)16-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3
InChIKeyZIKKSKRXHXXKRU-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.85
Rot. Bonds3

About 1-methyl-4-(1-phenylethylsulfanyl)benzene

1-methyl-4-(1-phenylethylsulfanyl)benzene (PubChem CID 13049765) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-methyl-4-(1-phenylethylsulfanyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(1-phenylethylsulfanyl)benzene
PubChem CID13049765
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name1-methyl-4-(1-phenylethylsulfanyl)benzene
SMILESCc1ccc(SC(C)c2ccccc2)cc1
InChIInChI=1S/C15H16S/c1-12-8-10-15(11-9-12)16-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3
InChIKeyZIKKSKRXHXXKRU-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-phenylethylsulfanyl)benzene?
The IUPAC name of 1-methyl-4-(1-phenylethylsulfanyl)benzene (CID 13049765) is 1-methyl-4-(1-phenylethylsulfanyl)benzene.
What is the SMILES notation for 1-methyl-4-(1-phenylethylsulfanyl)benzene?
The canonical SMILES for 1-methyl-4-(1-phenylethylsulfanyl)benzene is Cc1ccc(SC(C)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(1-phenylethylsulfanyl)benzene?
The InChIKey is ZIKKSKRXHXXKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-12-8-10-15(11-9-12)16-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3.
What are the key properties of 1-methyl-4-(1-phenylethylsulfanyl)benzene?
1-methyl-4-(1-phenylethylsulfanyl)benzene has a molecular weight of 228.36 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-phenylethylsulfanyl)benzene is sourced from PubChem (CID 13049765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).