2-[(Z)-prop-1-enoxy]thiolane

C7H12OS — CID 68960628

IUPAC2-[(Z)-prop-1-enoxy]thiolane
SMILESC/C=C\OC1CCCS1
InChIInChI=1S/C7H12OS/c1-2-5-8-7-4-3-6-9-7/h2,5,7H,3-4,6H2,1H3/b5-2-
InChIKeyMNILWBFLWBMMMH-DJWKRKHSSA-N
MW144.24 g/mol
LogP2.39
Rot. Bonds2

About 2-[(Z)-prop-1-enoxy]thiolane

2-[(Z)-prop-1-enoxy]thiolane (PubChem CID 68960628) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-[(Z)-prop-1-enoxy]thiolane.

Molecular Properties

Compound Name2-[(Z)-prop-1-enoxy]thiolane
PubChem CID68960628
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-[(Z)-prop-1-enoxy]thiolane
SMILESC/C=C\OC1CCCS1
InChIInChI=1S/C7H12OS/c1-2-5-8-7-4-3-6-9-7/h2,5,7H,3-4,6H2,1H3/b5-2-
InChIKeyMNILWBFLWBMMMH-DJWKRKHSSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-prop-1-enoxy]thiolane?
The IUPAC name of 2-[(Z)-prop-1-enoxy]thiolane (CID 68960628) is 2-[(Z)-prop-1-enoxy]thiolane.
What is the SMILES notation for 2-[(Z)-prop-1-enoxy]thiolane?
The canonical SMILES for 2-[(Z)-prop-1-enoxy]thiolane is C/C=C\OC1CCCS1.
What is the InChIKey of 2-[(Z)-prop-1-enoxy]thiolane?
The InChIKey is MNILWBFLWBMMMH-DJWKRKHSSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-5-8-7-4-3-6-9-7/h2,5,7H,3-4,6H2,1H3/b5-2-.
What are the key properties of 2-[(Z)-prop-1-enoxy]thiolane?
2-[(Z)-prop-1-enoxy]thiolane has a molecular weight of 144.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-prop-1-enoxy]thiolane is sourced from PubChem (CID 68960628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).