5-(4-methylsulfanylphenyl)furan-2-carbaldehyde

C12H10O2S — CID 4674822

IUPAC5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
SMILESCSc1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C12H10O2S/c1-15-11-5-2-9(3-6-11)12-7-4-10(8-13)14-12/h2-8H,1H3
InChIKeyAAUWFBPPDTZHNP-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.48
Rot. Bonds3

About 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde

5-(4-methylsulfanylphenyl)furan-2-carbaldehyde (PubChem CID 4674822) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
PubChem CID4674822
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
SMILESCSc1ccc(-c2ccc(C=O)o2)cc1
InChIInChI=1S/C12H10O2S/c1-15-11-5-2-9(3-6-11)12-7-4-10(8-13)14-12/h2-8H,1H3
InChIKeyAAUWFBPPDTZHNP-UHFFFAOYSA-N
XLogP3.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.48
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

5-[3-(4-methylsulfanylphenyl)phenyl]furan-2-carbaldehyde
CID 169332998
5-(4-propylsulfanylphenyl)furan-2-carbaldehyde
CID 169333150
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
5-(4-tert-butylphenyl)furan-2-carbaldehyde
CID 22566716
5-(4-sulfanylphenyl)furan-2-carbaldehyde
CID 169336212
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
5-(4-ethylphenyl)furan-2-carbaldehyde;methanol
CID 142207596
5-(3-methylsulfanyl-1H-indol-5-yl)furan-2-carbaldehyde
CID 169335127
5-[4-[5-(hydroxymethyl)furan-2-yl]phenyl]furan-2-carbaldehyde
CID 169334900
5-[4-(1-methylpyrazol-4-yl)phenyl]furan-2-carbaldehyde
CID 169332573
5-[4-(2,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169334405
4-(5-formylfuran-2-yl)benzenecarbothioamide
CID 169331842

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde?
The IUPAC name of 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde (CID 4674822) is 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde?
The canonical SMILES for 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde is CSc1ccc(-c2ccc(C=O)o2)cc1.
What is the InChIKey of 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde?
The InChIKey is AAUWFBPPDTZHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-15-11-5-2-9(3-6-11)12-7-4-10(8-13)14-12/h2-8H,1H3.
What are the key properties of 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde?
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde has a molecular weight of 218.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylphenyl)furan-2-carbaldehyde is sourced from PubChem (CID 4674822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).