trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane

C8H11Cl3S — CID 130207728

IUPACtrichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane
SMILESClS(Cl)(Cl)CCCC1C=CC=C1
InChIInChI=1S/C8H11Cl3S/c9-12(10,11)7-3-6-8-4-1-2-5-8/h1-2,4-5,8H,3,6-7H2
InChIKeyWJHINACICLVVNF-UHFFFAOYSA-N
MW245.60 g/mol
LogP4.77
Rot. Bonds4

About trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane

trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane (PubChem CID 130207728) has the molecular formula C8H11Cl3S and a molecular weight of 245.60 g/mol. Its IUPAC name is trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane.

Molecular Properties

Compound Nametrichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane
PubChem CID130207728
Molecular FormulaC8H11Cl3S
Molecular Weight245.60 g/mol
Exact Mass243.96
IUPAC Nametrichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane
SMILESClS(Cl)(Cl)CCCC1C=CC=C1
InChIInChI=1S/C8H11Cl3S/c9-12(10,11)7-3-6-8-4-1-2-5-8/h1-2,4-5,8H,3,6-7H2
InChIKeyWJHINACICLVVNF-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.60
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane?
The IUPAC name of trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane (CID 130207728) is trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane.
What is the SMILES notation for trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane?
The canonical SMILES for trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane is ClS(Cl)(Cl)CCCC1C=CC=C1.
What is the InChIKey of trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane?
The InChIKey is WJHINACICLVVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl3S/c9-12(10,11)7-3-6-8-4-1-2-5-8/h1-2,4-5,8H,3,6-7H2.
What are the key properties of trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane?
trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane has a molecular weight of 245.60 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(3-cyclopenta-2,4-dien-1-ylpropyl)-λ4-sulfane is sourced from PubChem (CID 130207728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).