2-(3-ethenoxypropyl)thiirane

C7H12OS — CID 176604917

IUPAC2-(3-ethenoxypropyl)thiirane
SMILESC=COCCCC1CS1
InChIInChI=1S/C7H12OS/c1-2-8-5-3-4-7-6-9-7/h2,7H,1,3-6H2
InChIKeySGZSDMBIODSQFF-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.04
Rot. Bonds5

About 2-(3-ethenoxypropyl)thiirane

2-(3-ethenoxypropyl)thiirane (PubChem CID 176604917) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)thiirane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)thiirane
PubChem CID176604917
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-(3-ethenoxypropyl)thiirane
SMILESC=COCCCC1CS1
InChIInChI=1S/C7H12OS/c1-2-8-5-3-4-7-6-9-7/h2,7H,1,3-6H2
InChIKeySGZSDMBIODSQFF-UHFFFAOYSA-N
XLogP2.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(Ethenoxymethyl)thiirane
CID 11643927
(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
2-(Ethenoxymethyl)thiolane
CID 176603954
2-(3-Ethenoxypropyl)thiirane 1-oxide
CID 176604281
2-(Ethenoxymethyl)-2-ethylthiirane
CID 176604587
2-(2-Ethenoxyethyl)thiirane
CID 176604645
2-(2-Ethenoxyethyl)-2-methylthiirane
CID 176605228

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)thiirane?
The IUPAC name of 2-(3-ethenoxypropyl)thiirane (CID 176604917) is 2-(3-ethenoxypropyl)thiirane.
What is the SMILES notation for 2-(3-ethenoxypropyl)thiirane?
The canonical SMILES for 2-(3-ethenoxypropyl)thiirane is C=COCCCC1CS1.
What is the InChIKey of 2-(3-ethenoxypropyl)thiirane?
The InChIKey is SGZSDMBIODSQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-8-5-3-4-7-6-9-7/h2,7H,1,3-6H2.
What are the key properties of 2-(3-ethenoxypropyl)thiirane?
2-(3-ethenoxypropyl)thiirane has a molecular weight of 144.24 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)thiirane is sourced from PubChem (CID 176604917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).