2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane

C10H18O2S6 — CID 141395051

IUPAC2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane
SMILESCCCSSC1(SSC2(SSCCC)CO2)CO1
InChIInChI=1S/C10H18O2S6/c1-3-5-13-15-9(7-11-9)17-18-10(8-12-10)16-14-6-4-2/h3-8H2,1-2H3
InChIKeyNUBCHAMFLUJLBO-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.32
Rot. Bonds11

About 2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane

2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane (PubChem CID 141395051) has the molecular formula C10H18O2S6 and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane.

Molecular Properties

Compound Name2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane
PubChem CID141395051
Molecular FormulaC10H18O2S6
Molecular Weight362.65 g/mol
Exact Mass361.96
IUPAC Name2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane
SMILESCCCSSC1(SSC2(SSCCC)CO2)CO1
InChIInChI=1S/C10H18O2S6/c1-3-5-13-15-9(7-11-9)17-18-10(8-12-10)16-14-6-4-2/h3-8H2,1-2H3
InChIKeyNUBCHAMFLUJLBO-UHFFFAOYSA-N
XLogP5.32
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(propyldisulfanyl)methyl]oxirane
CID 174755902
1-(methyldisulfanyl)propane
CID 16592
1-(propylheptasulfanyl)propane
CID 14123249
oxomolybdenum;1-(propyldisulfanyl)propane
CID 174771209
1-methylsulfanylpropane;1-(propyldisulfanyl)propane
CID 159477892
ethoxy-dimethyl-(propyldisulfanyl)silane
CID 87557243
2-(propyldisulfanyl)ethanol
CID 11977395
ethylsilane;1-(propyltetrasulfanyl)propane
CID 175318945
2-(propyldisulfanyl)but-2-ene
CID 154126940
2-methyl-2-(2-propylsulfanylethyl)-1,3-dioxolane
CID 13315742
2-methyl-1-[2-(propyldisulfanyl)ethyl]pyridin-1-ium
CID 89468140
1-[(propyldisulfanyl)methyl]dithiiran-1-ium
CID 172693391

Frequently Asked Questions

What is the IUPAC name of 2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane?
The IUPAC name of 2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane (CID 141395051) is 2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane.
What is the SMILES notation for 2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane?
The canonical SMILES for 2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane is CCCSSC1(SSC2(SSCCC)CO2)CO1.
What is the InChIKey of 2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane?
The InChIKey is NUBCHAMFLUJLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S6/c1-3-5-13-15-9(7-11-9)17-18-10(8-12-10)16-14-6-4-2/h3-8H2,1-2H3.
What are the key properties of 2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane?
2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane has a molecular weight of 362.65 g/mol, XLogP of 5.32, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propyldisulfanyl)-2-[[2-(propyldisulfanyl)oxiran-2-yl]disulfanyl]oxirane is sourced from PubChem (CID 141395051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).