2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid

C10H10O2SSe — CID 12535712

IUPAC2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid
SMILESCc1[se]c2scc(CC(=O)O)c2c1C
InChIInChI=1S/C10H10O2SSe/c1-5-6(2)14-10-9(5)7(4-13-10)3-8(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeySLICPAGTJOTDGR-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.20
Rot. Bonds2

About 2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid

2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid (PubChem CID 12535712) has the molecular formula C10H10O2SSe and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid
PubChem CID12535712
Molecular FormulaC10H10O2SSe
Molecular Weight273.21 g/mol
Exact Mass273.96
IUPAC Name2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid
SMILESCc1[se]c2scc(CC(=O)O)c2c1C
InChIInChI=1S/C10H10O2SSe/c1-5-6(2)14-10-9(5)7(4-13-10)3-8(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeySLICPAGTJOTDGR-UHFFFAOYSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid?
The IUPAC name of 2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid (CID 12535712) is 2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid?
The canonical SMILES for 2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid is Cc1[se]c2scc(CC(=O)O)c2c1C.
What is the InChIKey of 2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid?
The InChIKey is SLICPAGTJOTDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2SSe/c1-5-6(2)14-10-9(5)7(4-13-10)3-8(11)12/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid?
2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid has a molecular weight of 273.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylselenopheno[2,3-b]thiophen-3-yl)acetic acid is sourced from PubChem (CID 12535712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).