2-(furan-2-yl)-3-sulfanylpropanoic acid

C7H8O3S — CID 117241167

IUPAC2-(furan-2-yl)-3-sulfanylpropanoic acid
SMILESO=C(O)C(CS)c1ccco1
InChIInChI=1S/C7H8O3S/c8-7(9)5(4-11)6-2-1-3-10-6/h1-3,5,11H,4H2,(H,8,9)
InChIKeyRZRAPTVFUZUYPA-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.38
Rot. Bonds3

About 2-(furan-2-yl)-3-sulfanylpropanoic acid

2-(furan-2-yl)-3-sulfanylpropanoic acid (PubChem CID 117241167) has the molecular formula C7H8O3S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-3-sulfanylpropanoic acid
PubChem CID117241167
Molecular FormulaC7H8O3S
Molecular Weight172.21 g/mol
Exact Mass172.02
IUPAC Name2-(furan-2-yl)-3-sulfanylpropanoic acid
SMILESO=C(O)C(CS)c1ccco1
InChIInChI=1S/C7H8O3S/c8-7(9)5(4-11)6-2-1-3-10-6/h1-3,5,11H,4H2,(H,8,9)
InChIKeyRZRAPTVFUZUYPA-UHFFFAOYSA-N
XLogP1.38
TPSA50.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
2,3-bis(furan-2-yl)propanoic acid
CID 151762874
2-(furan-2-yl)-4-oxo-4-phenylbutanoic acid
CID 12615241
2-(furan-2-yl)propanedioic acid
CID 19790856
2-(furan-2-yl)-3-piperazin-1-ylpropanoic acid
CID 117240874
(2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol
CID 90119424
1-(furan-2-yl)ethane-1,2-dithiol
CID 123681652
3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid
CID 117241020
3-(3-chlorophenoxy)-2-(furan-2-yl)propanoic acid
CID 117241019
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
3-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-phenylpropanoic acid
CID 81399651
3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65067582

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-sulfanylpropanoic acid?
The IUPAC name of 2-(furan-2-yl)-3-sulfanylpropanoic acid (CID 117241167) is 2-(furan-2-yl)-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-(furan-2-yl)-3-sulfanylpropanoic acid?
The canonical SMILES for 2-(furan-2-yl)-3-sulfanylpropanoic acid is O=C(O)C(CS)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-3-sulfanylpropanoic acid?
The InChIKey is RZRAPTVFUZUYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S/c8-7(9)5(4-11)6-2-1-3-10-6/h1-3,5,11H,4H2,(H,8,9).
What are the key properties of 2-(furan-2-yl)-3-sulfanylpropanoic acid?
2-(furan-2-yl)-3-sulfanylpropanoic acid has a molecular weight of 172.21 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-sulfanylpropanoic acid is sourced from PubChem (CID 117241167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).