1-(1,3-dithiolan-4-yl)prop-2-en-1-ol

C6H10OS2 — CID 88814800

IUPAC1-(1,3-dithiolan-4-yl)prop-2-en-1-ol
SMILESC=CC(O)C1CSCS1
InChIInChI=1S/C6H10OS2/c1-2-5(7)6-3-8-4-9-6/h2,5-7H,1,3-4H2
InChIKeyYPHYPNLIWVMGHI-UHFFFAOYSA-N
MW162.28 g/mol
LogP1.34
Rot. Bonds2

About 1-(1,3-dithiolan-4-yl)prop-2-en-1-ol

1-(1,3-dithiolan-4-yl)prop-2-en-1-ol (PubChem CID 88814800) has the molecular formula C6H10OS2 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-(1,3-dithiolan-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1,3-dithiolan-4-yl)prop-2-en-1-ol
PubChem CID88814800
Molecular FormulaC6H10OS2
Molecular Weight162.28 g/mol
Exact Mass162.02
IUPAC Name1-(1,3-dithiolan-4-yl)prop-2-en-1-ol
SMILESC=CC(O)C1CSCS1
InChIInChI=1S/C6H10OS2/c1-2-5(7)6-3-8-4-9-6/h2,5-7H,1,3-4H2
InChIKeyYPHYPNLIWVMGHI-UHFFFAOYSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithiolan-4-yl)prop-2-en-1-ol?
The IUPAC name of 1-(1,3-dithiolan-4-yl)prop-2-en-1-ol (CID 88814800) is 1-(1,3-dithiolan-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1,3-dithiolan-4-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(1,3-dithiolan-4-yl)prop-2-en-1-ol is C=CC(O)C1CSCS1.
What is the InChIKey of 1-(1,3-dithiolan-4-yl)prop-2-en-1-ol?
The InChIKey is YPHYPNLIWVMGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS2/c1-2-5(7)6-3-8-4-9-6/h2,5-7H,1,3-4H2.
What are the key properties of 1-(1,3-dithiolan-4-yl)prop-2-en-1-ol?
1-(1,3-dithiolan-4-yl)prop-2-en-1-ol has a molecular weight of 162.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithiolan-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 88814800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).