1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol

C8H16O4S2 — CID 87303314

IUPAC1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol
SMILESOCC(O)C1(C(O)CO)CSCSC1
InChIInChI=1S/C8H16O4S2/c9-1-6(11)8(7(12)2-10)3-13-5-14-4-8/h6-7,9-12H,1-5H2
InChIKeyOIQFJPOUDJGOLC-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.88
Rot. Bonds4

About 1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol

1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol (PubChem CID 87303314) has the molecular formula C8H16O4S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol
PubChem CID87303314
Molecular FormulaC8H16O4S2
Molecular Weight240.35 g/mol
Exact Mass240.05
IUPAC Name1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol
SMILESOCC(O)C1(C(O)CO)CSCSC1
InChIInChI=1S/C8H16O4S2/c9-1-6(11)8(7(12)2-10)3-13-5-14-4-8/h6-7,9-12H,1-5H2
InChIKeyOIQFJPOUDJGOLC-UHFFFAOYSA-N
XLogP-0.88
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol?
The IUPAC name of 1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol (CID 87303314) is 1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol?
The canonical SMILES for 1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol is OCC(O)C1(C(O)CO)CSCSC1.
What is the InChIKey of 1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol?
The InChIKey is OIQFJPOUDJGOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4S2/c9-1-6(11)8(7(12)2-10)3-13-5-14-4-8/h6-7,9-12H,1-5H2.
What are the key properties of 1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol?
1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol has a molecular weight of 240.35 g/mol, XLogP of -0.88, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,2-dihydroxyethyl)-1,3-dithian-5-yl]ethane-1,2-diol is sourced from PubChem (CID 87303314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).