5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C24H34O4S4 — CID 122375705

IUPAC5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCCCCCSc1sc(-c2sc(SCCCCCC)c3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C24H34O4S4/c1-3-5-7-9-15-29-23-19-17(25-11-13-27-19)21(31-23)22-18-20(28-14-12-26-18)24(32-22)30-16-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyGWSSQWAIWYVGOX-UHFFFAOYSA-N
MW514.80 g/mol
LogP8.36
Rot. Bonds13

About 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 122375705) has the molecular formula C24H34O4S4 and a molecular weight of 514.80 g/mol. Its IUPAC name is 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID122375705
Molecular FormulaC24H34O4S4
Molecular Weight514.80 g/mol
Exact Mass514.13
IUPAC Name5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCCCCCSc1sc(-c2sc(SCCCCCC)c3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C24H34O4S4/c1-3-5-7-9-15-29-23-19-17(25-11-13-27-19)21(31-23)22-18-20(28-14-12-26-18)24(32-22)30-16-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyGWSSQWAIWYVGOX-UHFFFAOYSA-N
XLogP8.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.80
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine 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 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 122375705) is 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is CCCCCCSc1sc(-c2sc(SCCCCCC)c3c2OCCO3)c2c1OCCO2.
What is the InChIKey of 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is GWSSQWAIWYVGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4S4/c1-3-5-7-9-15-29-23-19-17(25-11-13-27-19)21(31-23)22-18-20(28-14-12-26-18)24(32-22)30-16-10-8-6-4-2/h3-16H2,1-2H3.
What are the key properties of 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 514.80 g/mol, XLogP of 8.36, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexylsulfanyl-7-(5-hexylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 122375705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).