3-(1,3-dithiolan-4-yl)propan-1-ol

C6H12OS2 — CID 54546401

IUPAC3-(1,3-dithiolan-4-yl)propan-1-ol
SMILESOCCCC1CSCS1
InChIInChI=1S/C6H12OS2/c7-3-1-2-6-4-8-5-9-6/h6-7H,1-5H2
InChIKeyCJWUEZPJJNPCFV-UHFFFAOYSA-N
MW164.29 g/mol
LogP1.57
Rot. Bonds3

About 3-(1,3-dithiolan-4-yl)propan-1-ol

3-(1,3-dithiolan-4-yl)propan-1-ol (PubChem CID 54546401) has the molecular formula C6H12OS2 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3-(1,3-dithiolan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-dithiolan-4-yl)propan-1-ol
PubChem CID54546401
Molecular FormulaC6H12OS2
Molecular Weight164.29 g/mol
Exact Mass164.03
IUPAC Name3-(1,3-dithiolan-4-yl)propan-1-ol
SMILESOCCCC1CSCS1
InChIInChI=1S/C6H12OS2/c7-3-1-2-6-4-8-5-9-6/h6-7H,1-5H2
InChIKeyCJWUEZPJJNPCFV-UHFFFAOYSA-N
XLogP1.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dithiolan-4-yl)propan-1-ol?
The IUPAC name of 3-(1,3-dithiolan-4-yl)propan-1-ol (CID 54546401) is 3-(1,3-dithiolan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1,3-dithiolan-4-yl)propan-1-ol?
The canonical SMILES for 3-(1,3-dithiolan-4-yl)propan-1-ol is OCCCC1CSCS1.
What is the InChIKey of 3-(1,3-dithiolan-4-yl)propan-1-ol?
The InChIKey is CJWUEZPJJNPCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS2/c7-3-1-2-6-4-8-5-9-6/h6-7H,1-5H2.
What are the key properties of 3-(1,3-dithiolan-4-yl)propan-1-ol?
3-(1,3-dithiolan-4-yl)propan-1-ol has a molecular weight of 164.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dithiolan-4-yl)propan-1-ol is sourced from PubChem (CID 54546401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).