[(2R)-1,1-dioxothian-2-yl]methanol

C6H12O3S — CID 94865465

IUPAC[(2R)-1,1-dioxothian-2-yl]methanol
SMILESO=S1(=O)CCCC[C@@H]1CO
InChIInChI=1S/C6H12O3S/c7-5-6-3-1-2-4-10(6,8)9/h6-7H,1-5H2/t6-/m1/s1
InChIKeyYKNWOCJTEFXXAW-ZCFIWIBFSA-N
MW164.23 g/mol
LogP-0.05
Rot. Bonds1

About [(2R)-1,1-dioxothian-2-yl]methanol

[(2R)-1,1-dioxothian-2-yl]methanol (PubChem CID 94865465) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is [(2R)-1,1-dioxothian-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1,1-dioxothian-2-yl]methanol
PubChem CID94865465
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name[(2R)-1,1-dioxothian-2-yl]methanol
SMILESO=S1(=O)CCCC[C@@H]1CO
InChIInChI=1S/C6H12O3S/c7-5-6-3-1-2-4-10(6,8)9/h6-7H,1-5H2/t6-/m1/s1
InChIKeyYKNWOCJTEFXXAW-ZCFIWIBFSA-N
XLogP-0.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1,1-dioxothian-2-yl]methanol?
The IUPAC name of [(2R)-1,1-dioxothian-2-yl]methanol (CID 94865465) is [(2R)-1,1-dioxothian-2-yl]methanol.
What is the SMILES notation for [(2R)-1,1-dioxothian-2-yl]methanol?
The canonical SMILES for [(2R)-1,1-dioxothian-2-yl]methanol is O=S1(=O)CCCC[C@@H]1CO.
What is the InChIKey of [(2R)-1,1-dioxothian-2-yl]methanol?
The InChIKey is YKNWOCJTEFXXAW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12O3S/c7-5-6-3-1-2-4-10(6,8)9/h6-7H,1-5H2/t6-/m1/s1.
What are the key properties of [(2R)-1,1-dioxothian-2-yl]methanol?
[(2R)-1,1-dioxothian-2-yl]methanol has a molecular weight of 164.23 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,1-dioxothian-2-yl]methanol is sourced from PubChem (CID 94865465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).