1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene

C17H18S — CID 163802436

IUPAC1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene
SMILESCC(C)=Cc1ccccc1Sc1ccc(C)cc1
InChIInChI=1S/C17H18S/c1-13(2)12-15-6-4-5-7-17(15)18-16-10-8-14(3)9-11-16/h4-12H,1-3H3
InChIKeyRUSSNCINXHPQMK-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.57
Rot. Bonds3

About 1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene

1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene (PubChem CID 163802436) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene
PubChem CID163802436
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene
SMILESCC(C)=Cc1ccccc1Sc1ccc(C)cc1
InChIInChI=1S/C17H18S/c1-13(2)12-15-6-4-5-7-17(15)18-16-10-8-14(3)9-11-16/h4-12H,1-3H3
InChIKeyRUSSNCINXHPQMK-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene?
The IUPAC name of 1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene (CID 163802436) is 1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene.
What is the SMILES notation for 1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene?
The canonical SMILES for 1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene is CC(C)=Cc1ccccc1Sc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene?
The InChIKey is RUSSNCINXHPQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S/c1-13(2)12-15-6-4-5-7-17(15)18-16-10-8-14(3)9-11-16/h4-12H,1-3H3.
What are the key properties of 1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene?
1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene has a molecular weight of 254.40 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-methylprop-1-enyl)phenyl]sulfanylbenzene is sourced from PubChem (CID 163802436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).