2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane

C10H20OS2 — CID 167244542

IUPAC2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane
SMILESCCSSC(CC)CC(C)C1CO1
InChIInChI=1S/C10H20OS2/c1-4-9(13-12-5-2)6-8(3)10-7-11-10/h8-10H,4-7H2,1-3H3
InChIKeyFHJOGZZZTMTASF-UHFFFAOYSA-N
MW220.40 g/mol
LogP3.59
Rot. Bonds7

About 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane

2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane (PubChem CID 167244542) has the molecular formula C10H20OS2 and a molecular weight of 220.40 g/mol. Its IUPAC name is 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane.

Molecular Properties

Compound Name2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane
PubChem CID167244542
Molecular FormulaC10H20OS2
Molecular Weight220.40 g/mol
Exact Mass220.10
IUPAC Name2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane
SMILESCCSSC(CC)CC(C)C1CO1
InChIInChI=1S/C10H20OS2/c1-4-9(13-12-5-2)6-8(3)10-7-11-10/h8-10H,4-7H2,1-3H3
InChIKeyFHJOGZZZTMTASF-UHFFFAOYSA-N
XLogP3.59
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane?
The IUPAC name of 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane (CID 167244542) is 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane.
What is the SMILES notation for 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane?
The canonical SMILES for 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane is CCSSC(CC)CC(C)C1CO1.
What is the InChIKey of 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane?
The InChIKey is FHJOGZZZTMTASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS2/c1-4-9(13-12-5-2)6-8(3)10-7-11-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane?
2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane has a molecular weight of 220.40 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethyldisulfanyl)hexan-2-yl]oxirane is sourced from PubChem (CID 167244542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).