2-hydroxy-3-thiophen-3-ylprop-2-enoic acid

C7H6O3S — CID 57047889

IUPAC2-hydroxy-3-thiophen-3-ylprop-2-enoic acid
SMILESO=C(O)C(O)=Cc1ccsc1
InChIInChI=1S/C7H6O3S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-4,8H,(H,9,10)
InChIKeyFSFBSERPBUVIGD-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.73
Rot. Bonds2

About 2-hydroxy-3-thiophen-3-ylprop-2-enoic acid

2-hydroxy-3-thiophen-3-ylprop-2-enoic acid (PubChem CID 57047889) has the molecular formula C7H6O3S and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-hydroxy-3-thiophen-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name2-hydroxy-3-thiophen-3-ylprop-2-enoic acid
PubChem CID57047889
Molecular FormulaC7H6O3S
Molecular Weight170.19 g/mol
Exact Mass170.00
IUPAC Name2-hydroxy-3-thiophen-3-ylprop-2-enoic acid
SMILESO=C(O)C(O)=Cc1ccsc1
InChIInChI=1S/C7H6O3S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-4,8H,(H,9,10)
InChIKeyFSFBSERPBUVIGD-UHFFFAOYSA-N
XLogP1.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-(3-Thienyl)-2-propenoic acid
CID 735793
(Z)-4-hydroxy-2-oxo-4-thiophen-3-ylbut-3-enoic acid
CID 44404078
2-Propenoic acid, 3-(3-thienyl)-
CID 102020
(Z)-2-sulfanyl-3-thiophen-3-ylprop-2-enoic acid
CID 12475297
(E)-3-thiophen-3-ylprop-2-enoate
CID 5566013
2-Hydroxy-3-thiophen-2-ylprop-2-enoic acid
CID 21573078
2-Fluoro-3-thiophen-3-ylprop-2-enoic acid
CID 79725578
(Z)-2-fluoro-3-thiophen-3-ylprop-2-enoic acid
CID 131447355
(Z)-3-(3-thienyl)prop-2-enoic acid
CID 1713672
(2Z)-2-hydroxy-3-(2-thienyl)prop-2-enoic acid
CID 10877553
(2E,4E,6E,8E)-3,7-dimethyl-9-thiophen-3-ylnona-2,4,6,8-tetraenoic acid
CID 15160093
(Z)-2-Ethoxy-3-(thiophen-3-yl)acrylic acid
CID 16724470

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-thiophen-3-ylprop-2-enoic acid?
The IUPAC name of 2-hydroxy-3-thiophen-3-ylprop-2-enoic acid (CID 57047889) is 2-hydroxy-3-thiophen-3-ylprop-2-enoic acid.
What is the SMILES notation for 2-hydroxy-3-thiophen-3-ylprop-2-enoic acid?
The canonical SMILES for 2-hydroxy-3-thiophen-3-ylprop-2-enoic acid is O=C(O)C(O)=Cc1ccsc1.
What is the InChIKey of 2-hydroxy-3-thiophen-3-ylprop-2-enoic acid?
The InChIKey is FSFBSERPBUVIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-4,8H,(H,9,10).
What are the key properties of 2-hydroxy-3-thiophen-3-ylprop-2-enoic acid?
2-hydroxy-3-thiophen-3-ylprop-2-enoic acid has a molecular weight of 170.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-thiophen-3-ylprop-2-enoic acid is sourced from PubChem (CID 57047889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).