2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol

C12H26O4S4 — CID 54291740

IUPAC2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol
SMILESOCCSCC(SCCO)C(CSCCO)SCCO
InChIInChI=1S/C12H26O4S4/c13-1-5-17-9-11(19-7-3-15)12(20-8-4-16)10-18-6-2-14/h11-16H,1-10H2
InChIKeyRXZBWLDAXHZNQD-UHFFFAOYSA-N
MW362.60 g/mol
LogP0.63
Rot. Bonds15

About 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol

2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol (PubChem CID 54291740) has the molecular formula C12H26O4S4 and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol
PubChem CID54291740
Molecular FormulaC12H26O4S4
Molecular Weight362.60 g/mol
Exact Mass362.07
IUPAC Name2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol
SMILESOCCSCC(SCCO)C(CSCCO)SCCO
InChIInChI=1S/C12H26O4S4/c13-1-5-17-9-11(19-7-3-15)12(20-8-4-16)10-18-6-2-14/h11-16H,1-10H2
InChIKeyRXZBWLDAXHZNQD-UHFFFAOYSA-N
XLogP0.63
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.60
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5,9,13-Tetrathiacyclohexadecane-3,11-diol
CID 373813
1,3-Bis(2-hydroxyethylthio)propane
CID 373735
2-((5-((2-Hydroxyethyl)sulfanyl)pentyl)sulfanyl)ethan-1-ol
CID 223140
1,4-Bis(2-hydroxyethylthio)butane
CID 81927
2-[3-(Methoxymethylsulfanyl)butylsulfanyl]ethanol
CID 156014341
2-((2-((2-((2-Hydroxyethyl)sulfanyl)ethyl)sulfanyl)ethyl)sulfanyl)ethan-1-ol
CID 10198704
1,4,8,11-Tetrathiacyclotetradecan-6-ol
CID 373840
3,6,9,12-Tetrathiatetradecane-1,14-diol
CID 19882026
2-Propanol, 1,1'-[1,2-ethanediylbis(thio)]bis-
CID 554366
1,4,8,12-Tetrathiacyclopentadecan-10-ol
CID 373841
2,2'-(Hexane-1,6-diylbis(thio))bisethanol
CID 79440
1-Propanol, 3,3'-[1,2-ethanediylbis(thio)]bis-
CID 548322

Frequently Asked Questions

What is the IUPAC name of 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol?
The IUPAC name of 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol (CID 54291740) is 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol.
What is the SMILES notation for 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol?
The canonical SMILES for 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol is OCCSCC(SCCO)C(CSCCO)SCCO.
What is the InChIKey of 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol?
The InChIKey is RXZBWLDAXHZNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4S4/c13-1-5-17-9-11(19-7-3-15)12(20-8-4-16)10-18-6-2-14/h11-16H,1-10H2.
What are the key properties of 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol?
2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol has a molecular weight of 362.60 g/mol, XLogP of 0.63, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,4-tris(2-hydroxyethylsulfanyl)butylsulfanyl]ethanol is sourced from PubChem (CID 54291740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).