2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate

C24H46O8S15 — CID 58670546

About 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate

2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate (PubChem CID 58670546) has the molecular formula C24H46O8S15 and a molecular weight of 943.63 g/mol. Its IUPAC name is 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate.

Molecular Properties

• Compound Name: 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate
• PubChem CID: 58670546
• Molecular Formula: C24H46O8S15
• Molecular Weight: 943.63 g/mol
• Exact Mass: 941.90
• IUPAC Name: 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate
• SMILES: O=C(CSCSCSCCS(=O)CSCSCSCSC(=O)CSCSCSCCOOCSCSCCO)OCSCSCCO
• InChI: InChI=1S/C24H46O8S15/c25-1-4-33-13-39-11-30-23(27)9-37-17-42-16-36-7-8-47(29)22-45-20-43-19-44-21-46-24(28)10-38-18-41-15-35-6-3-31-32-12-40-14-34-5-2-26/h25-26H,1-22H2
• InChIKey: HVFMEKPOXBVUKZ-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 119.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 39
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.63
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate?

The IUPAC name of 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate (CID 58670546) is 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate.

What is the SMILES notation for 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate?

The canonical SMILES for 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate is O=C(CSCSCSCCS(=O)CSCSCSCSC(=O)CSCSCSCCOOCSCSCCO)OCSCSCCO.

What is the InChIKey of 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate?

The InChIKey is HVFMEKPOXBVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O8S15/c25-1-4-33-13-39-11-30-23(27)9-37-17-42-16-36-7-8-47(29)22-45-20-43-19-44-21-46-24(28)10-38-18-41-15-35-6-3-31-32-12-40-14-34-5-2-26/h25-26H,1-22H2.

What are the key properties of 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate?

2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate has a molecular weight of 943.63 g/mol, XLogP of 7.49, 39 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxyethylsulfanylmethylsulfanylmethyl 2-[2-[[2-[2-(2-hydroxyethylsulfanylmethylsulfanylmethylperoxy)ethylsulfanylmethylsulfanylmethylsulfanyl]acetyl]sulfanylmethylsulfanylmethylsulfanylmethylsulfanylmethylsulfinyl]ethylsulfanylmethylsulfanylmethylsulfanyl]acetate is sourced from PubChem (CID 58670546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).