[2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol

C9H16O2S4 — CID 22602036

IUPAC[2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol
SMILESOCC1CSC(CC2SCC(CO)S2)S1
InChIInChI=1S/C9H16O2S4/c10-2-6-4-12-8(14-6)1-9-13-5-7(3-11)15-9/h6-11H,1-5H2
InChIKeyBNPGKYQFCFPDDP-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.71
Rot. Bonds4

About [2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol

[2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol (PubChem CID 22602036) has the molecular formula C9H16O2S4 and a molecular weight of 284.49 g/mol. Its IUPAC name is [2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol.

Molecular Properties

Compound Name[2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol
PubChem CID22602036
Molecular FormulaC9H16O2S4
Molecular Weight284.49 g/mol
Exact Mass284.00
IUPAC Name[2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol
SMILESOCC1CSC(CC2SCC(CO)S2)S1
InChIInChI=1S/C9H16O2S4/c10-2-6-4-12-8(14-6)1-9-13-5-7(3-11)15-9/h6-11H,1-5H2
InChIKeyBNPGKYQFCFPDDP-UHFFFAOYSA-N
XLogP1.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol?
The IUPAC name of [2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol (CID 22602036) is [2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol.
What is the SMILES notation for [2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol?
The canonical SMILES for [2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol is OCC1CSC(CC2SCC(CO)S2)S1.
What is the InChIKey of [2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol?
The InChIKey is BNPGKYQFCFPDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S4/c10-2-6-4-12-8(14-6)1-9-13-5-7(3-11)15-9/h6-11H,1-5H2.
What are the key properties of [2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol?
[2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol has a molecular weight of 284.49 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(hydroxymethyl)-1,3-dithiolan-2-yl]methyl]-1,3-dithiolan-4-yl]methanol is sourced from PubChem (CID 22602036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).