trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane

C5H11Cl5S2 — CID 166896305

IUPACtrichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane
SMILESCCC(S(Cl)(Cl)Cl)S(Cl)(Cl)CC
InChIInChI=1S/C5H11Cl5S2/c1-3-5(12(8,9)10)11(6,7)4-2/h5H,3-4H2,1-2H3
InChIKeyQCAMCIVFNPXATA-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.12
Rot. Bonds4

About trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane

trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane (PubChem CID 166896305) has the molecular formula C5H11Cl5S2 and a molecular weight of 312.54 g/mol. Its IUPAC name is trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane.

Molecular Properties

Compound Nametrichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane
PubChem CID166896305
Molecular FormulaC5H11Cl5S2
Molecular Weight312.54 g/mol
Exact Mass309.87
IUPAC Nametrichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane
SMILESCCC(S(Cl)(Cl)Cl)S(Cl)(Cl)CC
InChIInChI=1S/C5H11Cl5S2/c1-3-5(12(8,9)10)11(6,7)4-2/h5H,3-4H2,1-2H3
InChIKeyQCAMCIVFNPXATA-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-bis(methylsulfonyl)propane
CID 19348890
dichloro(diethyl)-λ4-sulfane
CID 57147272
2-chlorosulfonylbutanoic acid
CID 21454133
CID 173057488
CID 173057488
N-(2-methylbutyl)sulfamoyl chloride
CID 114958197
aluminum chloroethane
CID 22498058
1-chlorooctane;sulfuryl dichloride
CID 174404842
N-ethyl-N-propan-2-ylsulfamoyl chloride
CID 43265685
potassium 1-chloropropane-1-sulfonate
CID 175448780
2,3-dimethyl-1-(1-methylsulfonylpropylsulfonyl)butane
CID 172843003
1-chloroethyl(1-chloropropyl)sulfamic acid
CID 57052891
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291

Frequently Asked Questions

What is the IUPAC name of trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane?
The IUPAC name of trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane (CID 166896305) is trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane.
What is the SMILES notation for trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane?
The canonical SMILES for trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane is CCC(S(Cl)(Cl)Cl)S(Cl)(Cl)CC.
What is the InChIKey of trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane?
The InChIKey is QCAMCIVFNPXATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl5S2/c1-3-5(12(8,9)10)11(6,7)4-2/h5H,3-4H2,1-2H3.
What are the key properties of trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane?
trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane has a molecular weight of 312.54 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[1-[dichloro(ethyl)-λ4-sulfanyl]propyl]-λ4-sulfane is sourced from PubChem (CID 166896305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).