1-(thiolan-2-yl)prop-2-en-1-ol

C7H12OS — CID 105108417

IUPAC1-(thiolan-2-yl)prop-2-en-1-ol
SMILESC=CC(O)C1CCCS1
InChIInChI=1S/C7H12OS/c1-2-6(8)7-4-3-5-9-7/h2,6-8H,1,3-5H2
InChIKeyGJZCYMZMCNMXLR-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.43
Rot. Bonds2

About 1-(thiolan-2-yl)prop-2-en-1-ol

1-(thiolan-2-yl)prop-2-en-1-ol (PubChem CID 105108417) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 1-(thiolan-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(thiolan-2-yl)prop-2-en-1-ol
PubChem CID105108417
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name1-(thiolan-2-yl)prop-2-en-1-ol
SMILESC=CC(O)C1CCCS1
InChIInChI=1S/C7H12OS/c1-2-6(8)7-4-3-5-9-7/h2,6-8H,1,3-5H2
InChIKeyGJZCYMZMCNMXLR-UHFFFAOYSA-N
XLogP1.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(thiolan-2-yl)prop-2-en-1-ol?
The IUPAC name of 1-(thiolan-2-yl)prop-2-en-1-ol (CID 105108417) is 1-(thiolan-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(thiolan-2-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(thiolan-2-yl)prop-2-en-1-ol is C=CC(O)C1CCCS1.
What is the InChIKey of 1-(thiolan-2-yl)prop-2-en-1-ol?
The InChIKey is GJZCYMZMCNMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-6(8)7-4-3-5-9-7/h2,6-8H,1,3-5H2.
What are the key properties of 1-(thiolan-2-yl)prop-2-en-1-ol?
1-(thiolan-2-yl)prop-2-en-1-ol has a molecular weight of 144.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 105108417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).