(2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane

C7H12OS — CID 10374572

IUPAC(2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane
SMILESC=C[C@@H](C)OC[C@H]1CS1
InChIInChI=1S/C7H12OS/c1-3-6(2)8-4-7-5-9-7/h3,6-7H,1,4-5H2,2H3/t6-,7+/m1/s1
InChIKeyLCRXBIRLJVPYRZ-RQJHMYQMSA-N
MW144.24 g/mol
LogP1.69
Rot. Bonds4

About (2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane

(2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane (PubChem CID 10374572) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane.

Molecular Properties

Compound Name(2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane
PubChem CID10374572
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane
SMILESC=C[C@@H](C)OC[C@H]1CS1
InChIInChI=1S/C7H12OS/c1-3-6(2)8-4-7-5-9-7/h3,6-7H,1,4-5H2,2H3/t6-,7+/m1/s1
InChIKeyLCRXBIRLJVPYRZ-RQJHMYQMSA-N
XLogP1.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-enoxymethyl)thiirane
CID 137593
2-[[(Z)-but-2-enoxy]methyl]thiirane
CID 134896327
4-methoxy-3,4-dihydro-2H-thiopyran
CID 20213450
(4S)-4-methoxy-3,4-dihydro-2H-thiopyran
CID 22846029
3-Methoxy-2-methyl-2,3-dihydrothiophene
CID 69930943
5-Ethenyl-2-methyl-1,3-oxathiolane
CID 70232072
2-But-3-en-2-yloxyethanethiol
CID 88052545
2-Methyl-3-prop-2-enoxythiirane
CID 88750309
3-Methoxy-2,3-dihydrothiophene
CID 89093409
(2R)-2-(prop-2-enoxymethyl)thiirane
CID 134382177
(Z)-3-butoxy-1-ethylsulfanylbut-1-ene;ethane
CID 142987486
(2S)-2-[[(E,2R)-pent-3-en-2-yl]oxymethyl]thiirane
CID 10329543

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane?
The IUPAC name of (2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane (CID 10374572) is (2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane.
What is the SMILES notation for (2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane?
The canonical SMILES for (2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane is C=C[C@@H](C)OC[C@H]1CS1.
What is the InChIKey of (2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane?
The InChIKey is LCRXBIRLJVPYRZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H12OS/c1-3-6(2)8-4-7-5-9-7/h3,6-7H,1,4-5H2,2H3/t6-,7+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane?
(2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane has a molecular weight of 144.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-but-3-en-2-yl]oxymethyl]thiirane is sourced from PubChem (CID 10374572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).