2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane

C10H16S8 — CID 71416065

IUPAC2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane
SMILESC(SSC1CSC(SSCC2CS2)CS1)C1CS1
InChIInChI=1S/C10H16S8/c1-7(11-1)3-15-17-9-5-14-10(6-13-9)18-16-4-8-2-12-8/h7-10H,1-6H2
InChIKeyQXCPIMWQWQSYKR-UHFFFAOYSA-N
MW392.77 g/mol
LogP5.11
Rot. Bonds8

About 2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane

2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane (PubChem CID 71416065) has the molecular formula C10H16S8 and a molecular weight of 392.77 g/mol. Its IUPAC name is 2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane.

Molecular Properties

Compound Name2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane
PubChem CID71416065
Molecular FormulaC10H16S8
Molecular Weight392.77 g/mol
Exact Mass391.90
IUPAC Name2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane
SMILESC(SSC1CSC(SSCC2CS2)CS1)C1CS1
InChIInChI=1S/C10H16S8/c1-7(11-1)3-15-17-9-5-14-10(6-13-9)18-16-4-8-2-12-8/h7-10H,1-6H2
InChIKeyQXCPIMWQWQSYKR-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.77
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane?
The IUPAC name of 2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane (CID 71416065) is 2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane.
What is the SMILES notation for 2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane?
The canonical SMILES for 2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane is C(SSC1CSC(SSCC2CS2)CS1)C1CS1.
What is the InChIKey of 2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane?
The InChIKey is QXCPIMWQWQSYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S8/c1-7(11-1)3-15-17-9-5-14-10(6-13-9)18-16-4-8-2-12-8/h7-10H,1-6H2.
What are the key properties of 2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane?
2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane has a molecular weight of 392.77 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(thiiran-2-ylmethyldisulfanyl)-1,4-dithiane is sourced from PubChem (CID 71416065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).