[(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol

C7H14OS — CID 89078243

IUPAC[(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol
SMILESC[C@@H]1S[C@H](CO)C[C@@H]1C
InChIInChI=1S/C7H14OS/c1-5-3-7(4-8)9-6(5)2/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m0/s1
InChIKeyXJLYQIWQGVLAPE-ACZMJKKPSA-N
MW146.25 g/mol
LogP1.51
Rot. Bonds1

About [(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol

[(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol (PubChem CID 89078243) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is [(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol
PubChem CID89078243
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name[(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol
SMILESC[C@@H]1S[C@H](CO)C[C@@H]1C
InChIInChI=1S/C7H14OS/c1-5-3-7(4-8)9-6(5)2/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m0/s1
InChIKeyXJLYQIWQGVLAPE-ACZMJKKPSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol?
The IUPAC name of [(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol (CID 89078243) is [(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol?
The canonical SMILES for [(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol is C[C@@H]1S[C@H](CO)C[C@@H]1C.
What is the InChIKey of [(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol?
The InChIKey is XJLYQIWQGVLAPE-ACZMJKKPSA-N. The full InChI is InChI=1S/C7H14OS/c1-5-3-7(4-8)9-6(5)2/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m0/s1.
What are the key properties of [(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol?
[(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol has a molecular weight of 146.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-4,5-dimethylthiolan-2-yl]methanol is sourced from PubChem (CID 89078243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).