1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane

C11H18S2 — CID 138985190

IUPAC1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane
SMILESCS/C=C/C1CCC(/C=C/SC)C1
InChIInChI=1S/C11H18S2/c1-12-7-5-10-3-4-11(9-10)6-8-13-2/h5-8,10-11H,3-4,9H2,1-2H3/b7-5+,8-6+
InChIKeyZNBBUQGPMJETLQ-KQQUZDAGSA-N
MW214.40 g/mol
LogP4.16
Rot. Bonds4

About 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane

1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane (PubChem CID 138985190) has the molecular formula C11H18S2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane.

Molecular Properties

Compound Name1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane
PubChem CID138985190
Molecular FormulaC11H18S2
Molecular Weight214.40 g/mol
Exact Mass214.08
IUPAC Name1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane
SMILESCS/C=C/C1CCC(/C=C/SC)C1
InChIInChI=1S/C11H18S2/c1-12-7-5-10-3-4-11(9-10)6-8-13-2/h5-8,10-11H,3-4,9H2,1-2H3/b7-5+,8-6+
InChIKeyZNBBUQGPMJETLQ-KQQUZDAGSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane 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 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane?
The IUPAC name of 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane (CID 138985190) is 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane.
What is the SMILES notation for 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane?
The canonical SMILES for 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane is CS/C=C/C1CCC(/C=C/SC)C1.
What is the InChIKey of 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane?
The InChIKey is ZNBBUQGPMJETLQ-KQQUZDAGSA-N. The full InChI is InChI=1S/C11H18S2/c1-12-7-5-10-3-4-11(9-10)6-8-13-2/h5-8,10-11H,3-4,9H2,1-2H3/b7-5+,8-6+.
What are the key properties of 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane?
1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane has a molecular weight of 214.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-2-methylsulfanylethenyl]cyclopentane is sourced from PubChem (CID 138985190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).