2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol

C10H22OS7 — CID 57080295

IUPAC2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol
SMILESOCCSCC(SCCS)(SCCS)SCCS
InChIInChI=1S/C10H22OS7/c11-1-5-15-9-10(16-6-2-12,17-7-3-13)18-8-4-14/h11-14H,1-9H2
InChIKeyKGSYQRVFEIOSSU-UHFFFAOYSA-N
MW382.75 g/mol
LogP3.35
Rot. Bonds13

About 2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol

2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol (PubChem CID 57080295) has the molecular formula C10H22OS7 and a molecular weight of 382.75 g/mol. Its IUPAC name is 2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol
PubChem CID57080295
Molecular FormulaC10H22OS7
Molecular Weight382.75 g/mol
Exact Mass381.97
IUPAC Name2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol
SMILESOCCSCC(SCCS)(SCCS)SCCS
InChIInChI=1S/C10H22OS7/c11-1-5-15-9-10(16-6-2-12,17-7-3-13)18-8-4-14/h11-14H,1-9H2
InChIKeyKGSYQRVFEIOSSU-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.75
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol (CID 57080295) is 2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol is OCCSCC(SCCS)(SCCS)SCCS.
What is the InChIKey of 2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol?
The InChIKey is KGSYQRVFEIOSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS7/c11-1-5-15-9-10(16-6-2-12,17-7-3-13)18-8-4-14/h11-14H,1-9H2.
What are the key properties of 2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol?
2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol has a molecular weight of 382.75 g/mol, XLogP of 3.35, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2,2-tris(2-sulfanylethylsulfanyl)ethylsulfanyl]ethanol is sourced from PubChem (CID 57080295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).