(2R)-2-(prop-2-enoxymethyl)thiirane

C6H10OS — CID 134382177

IUPAC(2R)-2-(prop-2-enoxymethyl)thiirane
SMILESC=CCOC[C@@H]1CS1
InChIInChI=1S/C6H10OS/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2/t6-/m1/s1
InChIKeyMRACUOGDIPTXDJ-ZCFIWIBFSA-N
MW130.21 g/mol
LogP1.30
Rot. Bonds4

About (2R)-2-(prop-2-enoxymethyl)thiirane

(2R)-2-(prop-2-enoxymethyl)thiirane (PubChem CID 134382177) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (2R)-2-(prop-2-enoxymethyl)thiirane.

Molecular Properties

Compound Name(2R)-2-(prop-2-enoxymethyl)thiirane
PubChem CID134382177
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(2R)-2-(prop-2-enoxymethyl)thiirane
SMILESC=CCOC[C@@H]1CS1
InChIInChI=1S/C6H10OS/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2/t6-/m1/s1
InChIKeyMRACUOGDIPTXDJ-ZCFIWIBFSA-N
XLogP1.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(prop-2-enoxymethyl)thiirane?
The IUPAC name of (2R)-2-(prop-2-enoxymethyl)thiirane (CID 134382177) is (2R)-2-(prop-2-enoxymethyl)thiirane.
What is the SMILES notation for (2R)-2-(prop-2-enoxymethyl)thiirane?
The canonical SMILES for (2R)-2-(prop-2-enoxymethyl)thiirane is C=CCOC[C@@H]1CS1.
What is the InChIKey of (2R)-2-(prop-2-enoxymethyl)thiirane?
The InChIKey is MRACUOGDIPTXDJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-3-7-4-6-5-8-6/h2,6H,1,3-5H2/t6-/m1/s1.
What are the key properties of (2R)-2-(prop-2-enoxymethyl)thiirane?
(2R)-2-(prop-2-enoxymethyl)thiirane has a molecular weight of 130.21 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(prop-2-enoxymethyl)thiirane is sourced from PubChem (CID 134382177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).