[2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol

C16H30O2S6 — CID 22602109

IUPAC[2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol
SMILESCCC(SCCSC(CC)C1SCC(CO)S1)C1SCC(CO)S1
InChIInChI=1S/C16H30O2S6/c1-3-13(15-21-9-11(7-17)23-15)19-5-6-20-14(4-2)16-22-10-12(8-18)24-16/h11-18H,3-10H2,1-2H3
InChIKeySXKBOWNJPYSJEO-UHFFFAOYSA-N
MW446.82 g/mol
LogP4.34
Rot. Bonds11

About [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol

[2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol (PubChem CID 22602109) has the molecular formula C16H30O2S6 and a molecular weight of 446.82 g/mol. Its IUPAC name is [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol.

Molecular Properties

Compound Name[2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol
PubChem CID22602109
Molecular FormulaC16H30O2S6
Molecular Weight446.82 g/mol
Exact Mass446.06
IUPAC Name[2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol
SMILESCCC(SCCSC(CC)C1SCC(CO)S1)C1SCC(CO)S1
InChIInChI=1S/C16H30O2S6/c1-3-13(15-21-9-11(7-17)23-15)19-5-6-20-14(4-2)16-22-10-12(8-18)24-16/h11-18H,3-10H2,1-2H3
InChIKeySXKBOWNJPYSJEO-UHFFFAOYSA-N
XLogP4.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.82
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol?
The IUPAC name of [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol (CID 22602109) is [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol.
What is the SMILES notation for [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol?
The canonical SMILES for [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol is CCC(SCCSC(CC)C1SCC(CO)S1)C1SCC(CO)S1.
What is the InChIKey of [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol?
The InChIKey is SXKBOWNJPYSJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2S6/c1-3-13(15-21-9-11(7-17)23-15)19-5-6-20-14(4-2)16-22-10-12(8-18)24-16/h11-18H,3-10H2,1-2H3.
What are the key properties of [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol?
[2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol has a molecular weight of 446.82 g/mol, XLogP of 4.34, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[2-[1-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]propylsulfanyl]ethylsulfanyl]propyl]-1,3-dithiolan-4-yl]methanol is sourced from PubChem (CID 22602109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).