1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol

C9H18O6S2 — CID 89140908

IUPAC1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol
SMILESO=S1CCCSC1C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C9H18O6S2/c10-4-5(11)6(12)7(13)8(14)9-16-2-1-3-17(9)15/h5-14H,1-4H2
InChIKeyDWZFVOHQPZHSEA-UHFFFAOYSA-N
MW286.37 g/mol
LogP-2.37
Rot. Bonds5

About 1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol

1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol (PubChem CID 89140908) has the molecular formula C9H18O6S2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol
PubChem CID89140908
Molecular FormulaC9H18O6S2
Molecular Weight286.37 g/mol
Exact Mass286.05
IUPAC Name1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol
SMILESO=S1CCCSC1C(O)C(O)C(O)C(O)CO
InChIInChI=1S/C9H18O6S2/c10-4-5(11)6(12)7(13)8(14)9-16-2-1-3-17(9)15/h5-14H,1-4H2
InChIKeyDWZFVOHQPZHSEA-UHFFFAOYSA-N
XLogP-2.37
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol?
The IUPAC name of 1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol (CID 89140908) is 1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol.
What is the SMILES notation for 1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol?
The canonical SMILES for 1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol is O=S1CCCSC1C(O)C(O)C(O)C(O)CO.
What is the InChIKey of 1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol?
The InChIKey is DWZFVOHQPZHSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O6S2/c10-4-5(11)6(12)7(13)8(14)9-16-2-1-3-17(9)15/h5-14H,1-4H2.
What are the key properties of 1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol?
1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol has a molecular weight of 286.37 g/mol, XLogP of -2.37, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1,3-dithian-2-yl)pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 89140908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).