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

C10H18O2S4 — CID 22601927

IUPAC[2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol
SMILESOCC1CSC(CCC2SCC(CO)S2)S1
InChIInChI=1S/C10H18O2S4/c11-3-7-5-13-9(15-7)1-2-10-14-6-8(4-12)16-10/h7-12H,1-6H2
InChIKeyZBUUBLZWNBOUKD-UHFFFAOYSA-N
MW298.52 g/mol
LogP2.10
Rot. Bonds5

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

[2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol (PubChem CID 22601927) has the molecular formula C10H18O2S4 and a molecular weight of 298.52 g/mol. Its IUPAC name is [2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol
PubChem CID22601927
Molecular FormulaC10H18O2S4
Molecular Weight298.52 g/mol
Exact Mass298.02
IUPAC Name[2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol
SMILESOCC1CSC(CCC2SCC(CO)S2)S1
InChIInChI=1S/C10H18O2S4/c11-3-7-5-13-9(15-7)1-2-10-14-6-8(4-12)16-10/h7-12H,1-6H2
InChIKeyZBUUBLZWNBOUKD-UHFFFAOYSA-N
XLogP2.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol?
The IUPAC name of [2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol (CID 22601927) is [2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol.
What is the SMILES notation for [2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol?
The canonical SMILES for [2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol is OCC1CSC(CCC2SCC(CO)S2)S1.
What is the InChIKey of [2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol?
The InChIKey is ZBUUBLZWNBOUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S4/c11-3-7-5-13-9(15-7)1-2-10-14-6-8(4-12)16-10/h7-12H,1-6H2.
What are the key properties of [2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol?
[2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol has a molecular weight of 298.52 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(hydroxymethyl)-1,3-dithiolan-2-yl]ethyl]-1,3-dithiolan-4-yl]methanol is sourced from PubChem (CID 22601927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).