1-sulfanylpentan-2-ol

C5H12OS — CID 23431529

IUPAC1-sulfanylpentan-2-ol
SMILESCCCC(O)CS
InChIInChI=1S/C5H12OS/c1-2-3-5(6)4-7/h5-7H,2-4H2,1H3
InChIKeyBJTDCRZMGHJWBF-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.08
Rot. Bonds3

About 1-sulfanylpentan-2-ol

1-sulfanylpentan-2-ol (PubChem CID 23431529) has the molecular formula C5H12OS and a molecular weight of 120.22 g/mol. Its IUPAC name is 1-sulfanylpentan-2-ol.

Molecular Properties

Compound Name1-sulfanylpentan-2-ol
PubChem CID23431529
Molecular FormulaC5H12OS
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name1-sulfanylpentan-2-ol
SMILESCCCC(O)CS
InChIInChI=1S/C5H12OS/c1-2-3-5(6)4-7/h5-7H,2-4H2,1H3
InChIKeyBJTDCRZMGHJWBF-UHFFFAOYSA-N
XLogP1.08
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.08
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 1-sulfanylpentan-2-ol?
The IUPAC name of 1-sulfanylpentan-2-ol (CID 23431529) is 1-sulfanylpentan-2-ol.
What is the SMILES notation for 1-sulfanylpentan-2-ol?
The canonical SMILES for 1-sulfanylpentan-2-ol is CCCC(O)CS.
What is the InChIKey of 1-sulfanylpentan-2-ol?
The InChIKey is BJTDCRZMGHJWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS/c1-2-3-5(6)4-7/h5-7H,2-4H2,1H3.
What are the key properties of 1-sulfanylpentan-2-ol?
1-sulfanylpentan-2-ol has a molecular weight of 120.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylpentan-2-ol is sourced from PubChem (CID 23431529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).