4-methyl-4-sulfanylpentan-2-ol

C6H14OS — CID 6429308

IUPAC4-methyl-4-sulfanylpentan-2-ol
SMILESCC(O)CC(C)(C)S
InChIInChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
InChIKeyFDBQLLMYSACLPB-UHFFFAOYSA-N
MW134.24 g/mol
LogP1.47
Rot. Bonds2

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

4-methyl-4-sulfanylpentan-2-ol (PubChem CID 6429308) has the molecular formula C6H14OS and a molecular weight of 134.24 g/mol. Its IUPAC name is 4-methyl-4-sulfanylpentan-2-ol.

Molecular Properties

Compound Name4-methyl-4-sulfanylpentan-2-ol
PubChem CID6429308
Molecular FormulaC6H14OS
Molecular Weight134.24 g/mol
Exact Mass134.08
IUPAC Name4-methyl-4-sulfanylpentan-2-ol
SMILESCC(O)CC(C)(C)S
InChIInChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
InChIKeyFDBQLLMYSACLPB-UHFFFAOYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.24
LogP ≤ 51.47
H-Bond Donors ≤ 52
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 4-methyl-4-sulfanylpentan-2-ol?
The IUPAC name of 4-methyl-4-sulfanylpentan-2-ol (CID 6429308) is 4-methyl-4-sulfanylpentan-2-ol.
What is the SMILES notation for 4-methyl-4-sulfanylpentan-2-ol?
The canonical SMILES for 4-methyl-4-sulfanylpentan-2-ol is CC(O)CC(C)(C)S.
What is the InChIKey of 4-methyl-4-sulfanylpentan-2-ol?
The InChIKey is FDBQLLMYSACLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3.
What are the key properties of 4-methyl-4-sulfanylpentan-2-ol?
4-methyl-4-sulfanylpentan-2-ol has a molecular weight of 134.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-sulfanylpentan-2-ol is sourced from PubChem (CID 6429308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).