2-(furan-2-yl)propanethial

C7H8OS — CID 54309432

IUPAC2-(furan-2-yl)propanethial
SMILESCC(C=S)c1ccco1
InChIInChI=1S/C7H8OS/c1-6(5-9)7-3-2-4-8-7/h2-6H,1H3
InChIKeyUOYZCNQISXRGMW-UHFFFAOYSA-N
MW140.21 g/mol
LogP2.38
Rot. Bonds2

About 2-(furan-2-yl)propanethial

2-(furan-2-yl)propanethial (PubChem CID 54309432) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-(furan-2-yl)propanethial.

Molecular Properties

Compound Name2-(furan-2-yl)propanethial
PubChem CID54309432
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name2-(furan-2-yl)propanethial
SMILESCC(C=S)c1ccco1
InChIInChI=1S/C7H8OS/c1-6(5-9)7-3-2-4-8-7/h2-6H,1H3
InChIKeyUOYZCNQISXRGMW-UHFFFAOYSA-N
XLogP2.38
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-diazopropan-2-yl)furan
CID 119087241
1-(furan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053383
2-(furan-2-yl)-3-methylbutanal
CID 579273
3-amino-3-(furan-2-yl)-2,2-dimethylpropan-1-ol
CID 130059387
(3S)-3-amino-2,2-difluoro-3-(furan-2-yl)propan-1-ol
CID 130700545
1-(furan-2-yl)-2-methylbutane-1,3-diol
CID 72990739
(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethanamine;hydrochloride
CID 131879129
N-[(1R)-1-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107907535
(3S)-3-amino-3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 55292739
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
2-propan-2-ylaniline;2-propan-2-ylfuran
CID 158742039
2-(4-chloropentan-2-yl)furan
CID 64720798

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)propanethial?
The IUPAC name of 2-(furan-2-yl)propanethial (CID 54309432) is 2-(furan-2-yl)propanethial.
What is the SMILES notation for 2-(furan-2-yl)propanethial?
The canonical SMILES for 2-(furan-2-yl)propanethial is CC(C=S)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)propanethial?
The InChIKey is UOYZCNQISXRGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c1-6(5-9)7-3-2-4-8-7/h2-6H,1H3.
What are the key properties of 2-(furan-2-yl)propanethial?
2-(furan-2-yl)propanethial has a molecular weight of 140.21 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)propanethial is sourced from PubChem (CID 54309432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).