trichloro(hex-5-enyl)-λ4-sulfane

C6H11Cl3S — CID 155415762

IUPACtrichloro(hex-5-enyl)-λ4-sulfane
SMILESC=CCCCCS(Cl)(Cl)Cl
InChIInChI=1S/C6H11Cl3S/c1-2-3-4-5-6-10(7,8)9/h2H,1,3-6H2
InChIKeyQXBYOMZEFLDGLM-UHFFFAOYSA-N
MW221.58 g/mol
LogP4.61
Rot. Bonds5

About trichloro(hex-5-enyl)-λ4-sulfane

trichloro(hex-5-enyl)-λ4-sulfane (PubChem CID 155415762) has the molecular formula C6H11Cl3S and a molecular weight of 221.58 g/mol. Its IUPAC name is trichloro(hex-5-enyl)-λ4-sulfane.

Molecular Properties

Compound Nametrichloro(hex-5-enyl)-λ4-sulfane
PubChem CID155415762
Molecular FormulaC6H11Cl3S
Molecular Weight221.58 g/mol
Exact Mass219.96
IUPAC Nametrichloro(hex-5-enyl)-λ4-sulfane
SMILESC=CCCCCS(Cl)(Cl)Cl
InChIInChI=1S/C6H11Cl3S/c1-2-3-4-5-6-10(7,8)9/h2H,1,3-6H2
InChIKeyQXBYOMZEFLDGLM-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.58
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
azanium hex-5-ene-1-sulfonate
CID 155661740
dioxane;hept-6-ene-1-sulfonyl chloride
CID 174687063
icosa-1,9,19-triene
CID 57001912
ethene;octa-1,7-diene;prop-1-ene
CID 54599064
heptahexaconta-1,23,66-triene
CID 57275880
trichloro(hex-5-enyl)silane
CID 10856932
hex-5-enylalumane
CID 175005849
CID 173356006
CID 173356006
hex-5-enylsilane
CID 15905503
pent-4-ene-1-sulfonamide
CID 11788380

Frequently Asked Questions

What is the IUPAC name of trichloro(hex-5-enyl)-λ4-sulfane?
The IUPAC name of trichloro(hex-5-enyl)-λ4-sulfane (CID 155415762) is trichloro(hex-5-enyl)-λ4-sulfane.
What is the SMILES notation for trichloro(hex-5-enyl)-λ4-sulfane?
The canonical SMILES for trichloro(hex-5-enyl)-λ4-sulfane is C=CCCCCS(Cl)(Cl)Cl.
What is the InChIKey of trichloro(hex-5-enyl)-λ4-sulfane?
The InChIKey is QXBYOMZEFLDGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl3S/c1-2-3-4-5-6-10(7,8)9/h2H,1,3-6H2.
What are the key properties of trichloro(hex-5-enyl)-λ4-sulfane?
trichloro(hex-5-enyl)-λ4-sulfane has a molecular weight of 221.58 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(hex-5-enyl)-λ4-sulfane is sourced from PubChem (CID 155415762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).