2-[[(E)-prop-1-enoxy]methyl]thiirane

C6H10OS — CID 88775215

IUPAC2-[[(E)-prop-1-enoxy]methyl]thiirane
SMILESC/C=C/OCC1CS1
InChIInChI=1S/C6H10OS/c1-2-3-7-4-6-5-8-6/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyUIJAZJQUTCZJOM-NSCUHMNNSA-N
MW130.21 g/mol
LogP1.65
Rot. Bonds3

About 2-[[(E)-prop-1-enoxy]methyl]thiirane

2-[[(E)-prop-1-enoxy]methyl]thiirane (PubChem CID 88775215) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]thiirane.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]thiirane
PubChem CID88775215
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]thiirane
SMILESC/C=C/OCC1CS1
InChIInChI=1S/C6H10OS/c1-2-3-7-4-6-5-8-6/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyUIJAZJQUTCZJOM-NSCUHMNNSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-methoxy-4-methylsulfanylbuta-1,3-diene
CID 102331103
Ethoxyvinylthiirane
CID 129793083
(Z)-1-ethoxy-1-ethylsulfanylprop-1-ene
CID 134987287
2-(Prop-1-enoxymethyl)thiirane
CID 57240713
3-Methylsulfanyl-1-propoxyprop-1-ene
CID 123221448
ethane;4H-1,3-oxathiine
CID 142173991
3,5-dihydro-2H-1,4-oxathiepine
CID 142668007
2-methylsulfanyl-2H-oxete
CID 175974280
2-[[(E)-prop-1-enoxy]methyl]thiirane 1-oxide
CID 176602966
2-[2-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176603269
2-Methyl-2-(2-methylprop-1-enoxymethyl)thiirane
CID 176603793
2-(2-Methylprop-1-enoxymethyl)thiirane
CID 176603851

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiirane?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]thiirane (CID 88775215) is 2-[[(E)-prop-1-enoxy]methyl]thiirane.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]thiirane?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]thiirane is C/C=C/OCC1CS1.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]thiirane?
The InChIKey is UIJAZJQUTCZJOM-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-3-7-4-6-5-8-6/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]thiirane?
2-[[(E)-prop-1-enoxy]methyl]thiirane has a molecular weight of 130.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-prop-1-enoxy]methyl]thiirane is sourced from PubChem (CID 88775215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).