(2R,6S)-2,6-dimethyloxane-4-thiol

C7H14OS — CID 86706716

IUPAC(2R,6S)-2,6-dimethyloxane-4-thiol
SMILESC[C@@H]1CC(S)C[C@H](C)O1
InChIInChI=1S/C7H14OS/c1-5-3-7(9)4-6(2)8-5/h5-7,9H,3-4H2,1-2H3/t5-,6+,7?
InChIKeyFQXLSQQZCJKEQV-MEKDEQNOSA-N
MW146.25 g/mol
LogP1.87
Rot. Bonds

About (2R,6S)-2,6-dimethyloxane-4-thiol

(2R,6S)-2,6-dimethyloxane-4-thiol (PubChem CID 86706716) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyloxane-4-thiol.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyloxane-4-thiol
PubChem CID86706716
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(2R,6S)-2,6-dimethyloxane-4-thiol
SMILESC[C@@H]1CC(S)C[C@H](C)O1
InChIInChI=1S/C7H14OS/c1-5-3-7(9)4-6(2)8-5/h5-7,9H,3-4H2,1-2H3/t5-,6+,7?
InChIKeyFQXLSQQZCJKEQV-MEKDEQNOSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyloxane-4-thiol?
The IUPAC name of (2R,6S)-2,6-dimethyloxane-4-thiol (CID 86706716) is (2R,6S)-2,6-dimethyloxane-4-thiol.
What is the SMILES notation for (2R,6S)-2,6-dimethyloxane-4-thiol?
The canonical SMILES for (2R,6S)-2,6-dimethyloxane-4-thiol is C[C@@H]1CC(S)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyloxane-4-thiol?
The InChIKey is FQXLSQQZCJKEQV-MEKDEQNOSA-N. The full InChI is InChI=1S/C7H14OS/c1-5-3-7(9)4-6(2)8-5/h5-7,9H,3-4H2,1-2H3/t5-,6+,7?.
What are the key properties of (2R,6S)-2,6-dimethyloxane-4-thiol?
(2R,6S)-2,6-dimethyloxane-4-thiol has a molecular weight of 146.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyloxane-4-thiol is sourced from PubChem (CID 86706716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).