2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane

C8H14S8 — CID 122441293

IUPAC2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane
SMILESC(SSCSSCC1CS1)SSCC1CS1
InChIInChI=1S/C8H14S8/c1-7(9-1)3-11-13-5-15-16-6-14-12-4-8-2-10-8/h7-8H,1-6H2
InChIKeyRNWVPWXWCNHZRC-UHFFFAOYSA-N
MW366.74 g/mol
LogP5.28
Rot. Bonds11

About 2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane

2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane (PubChem CID 122441293) has the molecular formula C8H14S8 and a molecular weight of 366.74 g/mol. Its IUPAC name is 2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane.

Molecular Properties

Compound Name2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane
PubChem CID122441293
Molecular FormulaC8H14S8
Molecular Weight366.74 g/mol
Exact Mass365.89
IUPAC Name2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane
SMILESC(SSCSSCC1CS1)SSCC1CS1
InChIInChI=1S/C8H14S8/c1-7(9-1)3-11-13-5-15-16-6-14-12-4-8-2-10-8/h7-8H,1-6H2
InChIKeyRNWVPWXWCNHZRC-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.74
LogP ≤ 55.28
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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Frequently Asked Questions

What is the IUPAC name of 2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane?
The IUPAC name of 2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane (CID 122441293) is 2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane.
What is the SMILES notation for 2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane?
The canonical SMILES for 2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane is C(SSCSSCC1CS1)SSCC1CS1.
What is the InChIKey of 2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane?
The InChIKey is RNWVPWXWCNHZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S8/c1-7(9-1)3-11-13-5-15-16-6-14-12-4-8-2-10-8/h7-8H,1-6H2.
What are the key properties of 2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane?
2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane has a molecular weight of 366.74 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane is sourced from PubChem (CID 122441293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).