1-benzyl-4-methylsulfanylbenzene;ethene

C16H18S — CID 144850649

IUPAC1-benzyl-4-methylsulfanylbenzene;ethene
SMILESC=C.CSc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H14S.C2H4/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-2/h2-10H,11H2,1H3;1-2H2
InChIKeyLZFDEFYAWVECRT-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.80
Rot. Bonds3

About 1-benzyl-4-methylsulfanylbenzene;ethene

1-benzyl-4-methylsulfanylbenzene;ethene (PubChem CID 144850649) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-benzyl-4-methylsulfanylbenzene;ethene.

Molecular Properties

Compound Name1-benzyl-4-methylsulfanylbenzene;ethene
PubChem CID144850649
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name1-benzyl-4-methylsulfanylbenzene;ethene
SMILESC=C.CSc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H14S.C2H4/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-2/h2-10H,11H2,1H3;1-2H2
InChIKeyLZFDEFYAWVECRT-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-4-methylsulfanylbenzene
CID 23524923
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
3-[(4-methylsulfanylphenyl)methyl]-1,2-benzothiazole
CID 91805463
1-ethyl-4-methylsulfanylbenzene
CID 142218139

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylsulfanylbenzene;ethene?
The IUPAC name of 1-benzyl-4-methylsulfanylbenzene;ethene (CID 144850649) is 1-benzyl-4-methylsulfanylbenzene;ethene.
What is the SMILES notation for 1-benzyl-4-methylsulfanylbenzene;ethene?
The canonical SMILES for 1-benzyl-4-methylsulfanylbenzene;ethene is C=C.CSc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-methylsulfanylbenzene;ethene?
The InChIKey is LZFDEFYAWVECRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14S.C2H4/c1-15-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-2/h2-10H,11H2,1H3;1-2H2.
What are the key properties of 1-benzyl-4-methylsulfanylbenzene;ethene?
1-benzyl-4-methylsulfanylbenzene;ethene has a molecular weight of 242.39 g/mol, XLogP of 4.80, 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;ethene is sourced from PubChem (CID 144850649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).