5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde

C11H10O3S — CID 107781243

IUPAC5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde
SMILESCc1occc1SCc1ccc(C=O)o1
InChIInChI=1S/C11H10O3S/c1-8-11(4-5-13-8)15-7-10-3-2-9(6-12)14-10/h2-6H,7H2,1H3
InChIKeyHHLOABTXRLIJMJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP3.29
Rot. Bonds4

About 5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde

5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde (PubChem CID 107781243) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde
PubChem CID107781243
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde
SMILESCc1occc1SCc1ccc(C=O)o1
InChIInChI=1S/C11H10O3S/c1-8-11(4-5-13-8)15-7-10-3-2-9(6-12)14-10/h2-6H,7H2,1H3
InChIKeyHHLOABTXRLIJMJ-UHFFFAOYSA-N
XLogP3.29
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde?
The IUPAC name of 5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde (CID 107781243) is 5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde is Cc1occc1SCc1ccc(C=O)o1.
What is the InChIKey of 5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde?
The InChIKey is HHLOABTXRLIJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c1-8-11(4-5-13-8)15-7-10-3-2-9(6-12)14-10/h2-6H,7H2,1H3.
What are the key properties of 5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde?
5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde has a molecular weight of 222.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylfuran-3-yl)sulfanylmethyl]furan-2-carbaldehyde is sourced from PubChem (CID 107781243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).