2-(furan-2-ylmethylsulfanyl)benzaldehyde

C12H10O2S — CID 63803722

IUPAC2-(furan-2-ylmethylsulfanyl)benzaldehyde
SMILESO=Cc1ccccc1SCc1ccco1
InChIInChI=1S/C12H10O2S/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-8H,9H2
InChIKeyBHCKFLQXIFZMPJ-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.38
Rot. Bonds4

About 2-(furan-2-ylmethylsulfanyl)benzaldehyde

2-(furan-2-ylmethylsulfanyl)benzaldehyde (PubChem CID 63803722) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)benzaldehyde.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)benzaldehyde
PubChem CID63803722
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name2-(furan-2-ylmethylsulfanyl)benzaldehyde
SMILESO=Cc1ccccc1SCc1ccco1
InChIInChI=1S/C12H10O2S/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-8H,9H2
InChIKeyBHCKFLQXIFZMPJ-UHFFFAOYSA-N
XLogP3.38
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.38
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

2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
CID 173213846
1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol
CID 63814324
1-[2-(furan-2-ylmethylsulfanyl)phenyl]propan-1-ol
CID 112680064
2-bromo-6-(furan-2-ylmethylsulfanyl)benzoic acid
CID 114888767
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
2-[(2-nitrophenyl)methylsulfanyl]benzaldehyde
CID 139661430
6-(furan-2-ylmethylsulfanyl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 28979199
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
CID 79528052
2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
CID 102752209
2-[(2-methylphenyl)methylsulfanylmethyl]furan
CID 78761613
1-[2-fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]ethanol
CID 63814189
4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide
CID 82900112

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)benzaldehyde?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)benzaldehyde (CID 63803722) is 2-(furan-2-ylmethylsulfanyl)benzaldehyde.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)benzaldehyde?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)benzaldehyde is O=Cc1ccccc1SCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)benzaldehyde?
The InChIKey is BHCKFLQXIFZMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-8-10-4-1-2-6-12(10)15-9-11-5-3-7-14-11/h1-8H,9H2.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)benzaldehyde?
2-(furan-2-ylmethylsulfanyl)benzaldehyde has a molecular weight of 218.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)benzaldehyde is sourced from PubChem (CID 63803722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).