3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde

C9H10O2S — CID 116872428

IUPAC3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde
SMILESCc1ccsc1C1(C=O)COC1
InChIInChI=1S/C9H10O2S/c1-7-2-3-12-8(7)9(4-10)5-11-6-9/h2-4H,5-6H2,1H3
InChIKeyUDPLWJNTDDWJLY-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.52
Rot. Bonds2

About 3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde

3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde (PubChem CID 116872428) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde
PubChem CID116872428
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde
SMILESCc1ccsc1C1(C=O)COC1
InChIInChI=1S/C9H10O2S/c1-7-2-3-12-8(7)9(4-10)5-11-6-9/h2-4H,5-6H2,1H3
InChIKeyUDPLWJNTDDWJLY-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116875001
2-methyl-2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propanenitrile
CID 116873690
[1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874842
1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]propan-2-amine
CID 116869900
N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline
CID 116871239
2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
CID 116874546
[3-(hydroxymethyl)oxetan-3-yl]-(3-methylthiophen-2-yl)methanone
CID 116922663
2-[3-(3-methylthiophen-2-yl)oxetan-3-yl]piperidine
CID 116870952
3-(6-methyl-1,3-benzodioxol-5-yl)oxetane-3-carbaldehyde
CID 116872410
2-[[3-(3-methylthiophen-2-yl)oxetan-3-yl]methyl]piperidine
CID 116871111
3-(5-chloro-4-methoxy-2-methylphenyl)oxetane-3-carbaldehyde
CID 116872346
(3R)-3-phenyloxolane-3-carbaldehyde
CID 98041318

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde?
The IUPAC name of 3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde (CID 116872428) is 3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde?
The canonical SMILES for 3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde is Cc1ccsc1C1(C=O)COC1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde?
The InChIKey is UDPLWJNTDDWJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-7-2-3-12-8(7)9(4-10)5-11-6-9/h2-4H,5-6H2,1H3.
What are the key properties of 3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde?
3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde has a molecular weight of 182.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)oxetane-3-carbaldehyde is sourced from PubChem (CID 116872428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).