4-methyl-5-sulfanylpentan-2-ol

C6H14OS — CID 54007604

IUPAC4-methyl-5-sulfanylpentan-2-ol
SMILESCC(O)CC(C)CS
InChIInChI=1S/C6H14OS/c1-5(4-8)3-6(2)7/h5-8H,3-4H2,1-2H3
InChIKeyKPZUOVIJALIFJU-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.32
Rot. Bonds3

About 4-methyl-5-sulfanylpentan-2-ol

4-methyl-5-sulfanylpentan-2-ol (PubChem CID 54007604) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 4-methyl-5-sulfanylpentan-2-ol.

Molecular Properties

Compound Name4-methyl-5-sulfanylpentan-2-ol
PubChem CID54007604
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name4-methyl-5-sulfanylpentan-2-ol
SMILESCC(O)CC(C)CS
InChIInChI=1S/C6H14OS/c1-5(4-8)3-6(2)7/h5-8H,3-4H2,1-2H3
InChIKeyKPZUOVIJALIFJU-UHFFFAOYSA-N
XLogP1.32
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-5-sulfanylpentan-2-ol 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

CID 87134159
CID 87134159
tris(pentane-2,4-diol);ruthenium
CID 5231187
europium;tetrakis(pentane-2,4-diol)
CID 59946569
copper bis(pentane-2,4-diol)
CID 135036707
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
carbanide;bis(pentane-2,4-diol);titanium(2+)
CID 58114426
CID 6395570
CID 6395570
lanthanum;tris(pentane-2,4-diol);dihydrate
CID 5245936
(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
CID 155217722
2,4-dimethylheptane-2,6-diol
CID 53400290
methane;(2R)-4-methylpentan-2-ol
CID 159585988

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-sulfanylpentan-2-ol?
The IUPAC name of 4-methyl-5-sulfanylpentan-2-ol (CID 54007604) is 4-methyl-5-sulfanylpentan-2-ol.
What is the SMILES notation for 4-methyl-5-sulfanylpentan-2-ol?
The canonical SMILES for 4-methyl-5-sulfanylpentan-2-ol is CC(O)CC(C)CS.
What is the InChIKey of 4-methyl-5-sulfanylpentan-2-ol?
The InChIKey is KPZUOVIJALIFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-5(4-8)3-6(2)7/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-methyl-5-sulfanylpentan-2-ol?
4-methyl-5-sulfanylpentan-2-ol has a molecular weight of 134.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-sulfanylpentan-2-ol is sourced from PubChem (CID 54007604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).