3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane

C10H17ClS — CID 126684444

IUPAC3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane
SMILESCS(C)(CCCCl)C1C=CC=C1
InChIInChI=1S/C10H17ClS/c1-12(2,9-5-8-11)10-6-3-4-7-10/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyZDLOHHUWPJOEAH-UHFFFAOYSA-N
MW204.77 g/mol
LogP3.17
Rot. Bonds4

About 3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane

3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane (PubChem CID 126684444) has the molecular formula C10H17ClS and a molecular weight of 204.77 g/mol. Its IUPAC name is 3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane
PubChem CID126684444
Molecular FormulaC10H17ClS
Molecular Weight204.77 g/mol
Exact Mass204.07
IUPAC Name3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane
SMILESCS(C)(CCCCl)C1C=CC=C1
InChIInChI=1S/C10H17ClS/c1-12(2,9-5-8-11)10-6-3-4-7-10/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyZDLOHHUWPJOEAH-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.77
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane?
The IUPAC name of 3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane (CID 126684444) is 3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane.
What is the SMILES notation for 3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane?
The canonical SMILES for 3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane is CS(C)(CCCCl)C1C=CC=C1.
What is the InChIKey of 3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane?
The InChIKey is ZDLOHHUWPJOEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClS/c1-12(2,9-5-8-11)10-6-3-4-7-10/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of 3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane?
3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane has a molecular weight of 204.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-λ4-sulfane is sourced from PubChem (CID 126684444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).