2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid

C7H6O2S2 — CID 71375342

IUPAC2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)C(S)=Cc1cccs1
InChIInChI=1S/C7H6O2S2/c8-7(9)6(10)4-5-2-1-3-11-5/h1-4,10H,(H,8,9)
InChIKeyABROOERZVAKZQQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.10
Rot. Bonds2

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

2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid (PubChem CID 71375342) has the molecular formula C7H6O2S2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid
PubChem CID71375342
Molecular FormulaC7H6O2S2
Molecular Weight186.26 g/mol
Exact Mass185.98
IUPAC Name2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid
SMILESO=C(O)C(S)=Cc1cccs1
InChIInChI=1S/C7H6O2S2/c8-7(9)6(10)4-5-2-1-3-11-5/h1-4,10H,(H,8,9)
InChIKeyABROOERZVAKZQQ-UHFFFAOYSA-N
XLogP2.10
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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3-Thiophen-2-ylprop-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid?
The IUPAC name of 2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid (CID 71375342) is 2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid.
What is the SMILES notation for 2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid?
The canonical SMILES for 2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid is O=C(O)C(S)=Cc1cccs1.
What is the InChIKey of 2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid?
The InChIKey is ABROOERZVAKZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S2/c8-7(9)6(10)4-5-2-1-3-11-5/h1-4,10H,(H,8,9).
What are the key properties of 2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid?
2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid has a molecular weight of 186.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-3-thiophen-2-ylprop-2-enoic acid is sourced from PubChem (CID 71375342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).