[6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol

C6H10O2S2 — CID 130131112

IUPAC[6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol
SMILESOCC1=C(CO)SCCS1
InChIInChI=1S/C6H10O2S2/c7-3-5-6(4-8)10-2-1-9-5/h7-8H,1-4H2
InChIKeyGTYIXYUFLGAAIU-UHFFFAOYSA-N
MW178.28 g/mol
LogP0.66
Rot. Bonds2

About [6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol

[6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol (PubChem CID 130131112) has the molecular formula C6H10O2S2 and a molecular weight of 178.28 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol
PubChem CID130131112
Molecular FormulaC6H10O2S2
Molecular Weight178.28 g/mol
Exact Mass178.01
IUPAC Name[6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol
SMILESOCC1=C(CO)SCCS1
InChIInChI=1S/C6H10O2S2/c7-3-5-6(4-8)10-2-1-9-5/h7-8H,1-4H2
InChIKeyGTYIXYUFLGAAIU-UHFFFAOYSA-N
XLogP0.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol (CID 130131112) is [6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol is OCC1=C(CO)SCCS1.
What is the InChIKey of [6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol?
The InChIKey is GTYIXYUFLGAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S2/c7-3-5-6(4-8)10-2-1-9-5/h7-8H,1-4H2.
What are the key properties of [6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol?
[6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol has a molecular weight of 178.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,3-dihydro-1,4-dithiin-5-yl]methanol is sourced from PubChem (CID 130131112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).