1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene

C24H24S — CID 135012077

IUPAC1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene
SMILESCc1ccc(/C=C/C(Sc2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24S/c1-18-4-10-21(11-5-18)12-17-24(22-13-6-19(2)7-14-22)25-23-15-8-20(3)9-16-23/h4-17,24H,1-3H3/b17-12+
InChIKeyQAPSTPOSZKZEOE-SFQUDFHCSA-N
MW344.52 g/mol
LogP7.16
Rot. Bonds5

About 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene

1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene (PubChem CID 135012077) has the molecular formula C24H24S and a molecular weight of 344.52 g/mol. Its IUPAC name is 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene
PubChem CID135012077
Molecular FormulaC24H24S
Molecular Weight344.52 g/mol
Exact Mass344.16
IUPAC Name1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene
SMILESCc1ccc(/C=C/C(Sc2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24S/c1-18-4-10-21(11-5-18)12-17-24(22-13-6-19(2)7-14-22)25-23-15-8-20(3)9-16-23/h4-17,24H,1-3H3/b17-12+
InChIKeyQAPSTPOSZKZEOE-SFQUDFHCSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene?
The IUPAC name of 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene (CID 135012077) is 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene is Cc1ccc(/C=C/C(Sc2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene?
The InChIKey is QAPSTPOSZKZEOE-SFQUDFHCSA-N. The full InChI is InChI=1S/C24H24S/c1-18-4-10-21(11-5-18)12-17-24(22-13-6-19(2)7-14-22)25-23-15-8-20(3)9-16-23/h4-17,24H,1-3H3/b17-12+.
What are the key properties of 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene?
1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene has a molecular weight of 344.52 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,3-bis(4-methylphenyl)prop-2-enyl]sulfanyl-4-methylbenzene is sourced from PubChem (CID 135012077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).