(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'}

Analyze (2R,6S)-2,6-dimethyloxane-4-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6R)-4-bromo-2,6-dimethyloxane
CID 96839693
(2R,6R)-4-chloro-2,6-dimethyloxane
CID 124564332
(2S)-4-methoxy-2,6-dimethyloxane
CID 142449204
2,6-dimethyloxane;2,4-dimethyloxetane;2,5-dimethyloxolane
CID 162224348
(2S)-2,5-dimethyloxolane
CID 118613003
(2S,6S)-N-cyclopropyl-2,6-dimethyloxan-4-amine
CID 97358274
[(2R)-2,6-dimethyloxan-4-yl]methanol
CID 69262648
2-iodo-4,6-dimethyl-1,3-dioxane
CID 129213139
O-[(2S,4S,6R)-4,6-dimethyloxan-2-yl]hydroxylamine
CID 143101362
2-methylcyclopropane-1-thiol
CID 123630782
2-methyl-4-(trifluoromethyl)oxetane
CID 162568381
(2S,3R)-2,3,4,6-tetramethyloxane
CID 162125825

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).