2-(ethenoxymethyl)thiolane

C7H12OS — CID 176603954

IUPAC2-(ethenoxymethyl)thiolane
SMILESC=COCC1CCCS1
InChIInChI=1S/C7H12OS/c1-2-8-6-7-4-3-5-9-7/h2,7H,1,3-6H2
InChIKeyBRLFWMAWDHAUIN-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.04
Rot. Bonds3

About 2-(ethenoxymethyl)thiolane

2-(ethenoxymethyl)thiolane (PubChem CID 176603954) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(ethenoxymethyl)thiolane.

Molecular Properties

Compound Name2-(ethenoxymethyl)thiolane
PubChem CID176603954
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-(ethenoxymethyl)thiolane
SMILESC=COCC1CCCS1
InChIInChI=1S/C7H12OS/c1-2-8-6-7-4-3-5-9-7/h2,7H,1,3-6H2
InChIKeyBRLFWMAWDHAUIN-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.04
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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Related Compounds

2-(Ethenylsulfanylmethyl)oxolane
CID 19076165
(2Z)-5-methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 58183646
5-Methyl-5,6,7,8-tetrahydro-1,4-oxathiocine
CID 76717876
3-(Ethenoxymethyl)thiolane
CID 176603936
3-(2-Ethenoxyethyl)thiolane
CID 176604092
2-(2-Ethenoxyethyl)thiolane
CID 176604303
2-(Ethenoxymethyl)thiolane 1-oxide
CID 176604367
2-(1-Ethenoxyethyl)thiolane
CID 176604798
2-(3-Ethenoxypropyl)thiirane
CID 176604917
2-(Ethenoxymethyl)-2-methylthiolane
CID 176605177

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethyl)thiolane?
The IUPAC name of 2-(ethenoxymethyl)thiolane (CID 176603954) is 2-(ethenoxymethyl)thiolane.
What is the SMILES notation for 2-(ethenoxymethyl)thiolane?
The canonical SMILES for 2-(ethenoxymethyl)thiolane is C=COCC1CCCS1.
What is the InChIKey of 2-(ethenoxymethyl)thiolane?
The InChIKey is BRLFWMAWDHAUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-8-6-7-4-3-5-9-7/h2,7H,1,3-6H2.
What are the key properties of 2-(ethenoxymethyl)thiolane?
2-(ethenoxymethyl)thiolane has a molecular weight of 144.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)thiolane is sourced from PubChem (CID 176603954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).