methanol;2-(2-sulfanylpropyl)oxan-4-ol

C9H20O3S — CID 145297955

IUPACmethanol;2-(2-sulfanylpropyl)oxan-4-ol
SMILESCC(S)CC1CC(O)CCO1.CO
InChIInChI=1S/C8H16O2S.CH4O/c1-6(11)4-8-5-7(9)2-3-10-8;1-2/h6-9,11H,2-5H2,1H3;2H,1H3
InChIKeyRKJZPUWSQLHEKH-UHFFFAOYSA-N
MW208.32 g/mol
LogP0.84
Rot. Bonds2

About methanol;2-(2-sulfanylpropyl)oxan-4-ol

methanol;2-(2-sulfanylpropyl)oxan-4-ol (PubChem CID 145297955) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is methanol;2-(2-sulfanylpropyl)oxan-4-ol.

Molecular Properties

Compound Namemethanol;2-(2-sulfanylpropyl)oxan-4-ol
PubChem CID145297955
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Namemethanol;2-(2-sulfanylpropyl)oxan-4-ol
SMILESCC(S)CC1CC(O)CCO1.CO
InChIInChI=1S/C8H16O2S.CH4O/c1-6(11)4-8-5-7(9)2-3-10-8;1-2/h6-9,11H,2-5H2,1H3;2H,1H3
InChIKeyRKJZPUWSQLHEKH-UHFFFAOYSA-N
XLogP0.84
TPSA49.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methanol;2-(2-sulfanylpropyl)oxan-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanol;2-(2-sulfanylpropyl)oxan-4-ol?
The IUPAC name of methanol;2-(2-sulfanylpropyl)oxan-4-ol (CID 145297955) is methanol;2-(2-sulfanylpropyl)oxan-4-ol.
What is the SMILES notation for methanol;2-(2-sulfanylpropyl)oxan-4-ol?
The canonical SMILES for methanol;2-(2-sulfanylpropyl)oxan-4-ol is CC(S)CC1CC(O)CCO1.CO.
What is the InChIKey of methanol;2-(2-sulfanylpropyl)oxan-4-ol?
The InChIKey is RKJZPUWSQLHEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S.CH4O/c1-6(11)4-8-5-7(9)2-3-10-8;1-2/h6-9,11H,2-5H2,1H3;2H,1H3.
What are the key properties of methanol;2-(2-sulfanylpropyl)oxan-4-ol?
methanol;2-(2-sulfanylpropyl)oxan-4-ol has a molecular weight of 208.32 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-(2-sulfanylpropyl)oxan-4-ol is sourced from PubChem (CID 145297955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).