1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene

C18H18S — CID 24775403

IUPAC1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene
SMILESCc1ccc(/C=C2/CC2CSc2ccccc2)cc1
InChIInChI=1S/C18H18S/c1-14-7-9-15(10-8-14)11-16-12-17(16)13-19-18-5-3-2-4-6-18/h2-11,17H,12-13H2,1H3/b16-11-
InChIKeyMRYAPSNDYTVITO-WJDWOHSUSA-N
MW266.41 g/mol
LogP5.19
Rot. Bonds4

About 1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene

1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene (PubChem CID 24775403) has the molecular formula C18H18S and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene
PubChem CID24775403
Molecular FormulaC18H18S
Molecular Weight266.41 g/mol
Exact Mass266.11
IUPAC Name1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene
SMILESCc1ccc(/C=C2/CC2CSc2ccccc2)cc1
InChIInChI=1S/C18H18S/c1-14-7-9-15(10-8-14)11-16-12-17(16)13-19-18-5-3-2-4-6-18/h2-11,17H,12-13H2,1H3/b16-11-
InChIKeyMRYAPSNDYTVITO-WJDWOHSUSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene?
The IUPAC name of 1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene (CID 24775403) is 1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene.
What is the SMILES notation for 1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene?
The canonical SMILES for 1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene is Cc1ccc(/C=C2/CC2CSc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene?
The InChIKey is MRYAPSNDYTVITO-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H18S/c1-14-7-9-15(10-8-14)11-16-12-17(16)13-19-18-5-3-2-4-6-18/h2-11,17H,12-13H2,1H3/b16-11-.
What are the key properties of 1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene?
1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene has a molecular weight of 266.41 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-[2-(phenylsulfanylmethyl)cyclopropylidene]methyl]benzene is sourced from PubChem (CID 24775403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).