2-(3-acetamidothiophen-2-yl)sulfanylacetic acid

C8H9NO3S2 — CID 12571971

IUPAC2-(3-acetamidothiophen-2-yl)sulfanylacetic acid
SMILESCC(=O)Nc1ccsc1SCC(=O)O
InChIInChI=1S/C8H9NO3S2/c1-5(10)9-6-2-3-13-8(6)14-4-7(11)12/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyWBLUKGCHFKWHDA-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.88
Rot. Bonds4

About 2-(3-acetamidothiophen-2-yl)sulfanylacetic acid

2-(3-acetamidothiophen-2-yl)sulfanylacetic acid (PubChem CID 12571971) has the molecular formula C8H9NO3S2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3-acetamidothiophen-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(3-acetamidothiophen-2-yl)sulfanylacetic acid
PubChem CID12571971
Molecular FormulaC8H9NO3S2
Molecular Weight231.30 g/mol
Exact Mass231.00
IUPAC Name2-(3-acetamidothiophen-2-yl)sulfanylacetic acid
SMILESCC(=O)Nc1ccsc1SCC(=O)O
InChIInChI=1S/C8H9NO3S2/c1-5(10)9-6-2-3-13-8(6)14-4-7(11)12/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKeyWBLUKGCHFKWHDA-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidothiophen-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(3-acetamidothiophen-2-yl)sulfanylacetic acid (CID 12571971) is 2-(3-acetamidothiophen-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(3-acetamidothiophen-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(3-acetamidothiophen-2-yl)sulfanylacetic acid is CC(=O)Nc1ccsc1SCC(=O)O.
What is the InChIKey of 2-(3-acetamidothiophen-2-yl)sulfanylacetic acid?
The InChIKey is WBLUKGCHFKWHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S2/c1-5(10)9-6-2-3-13-8(6)14-4-7(11)12/h2-3H,4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(3-acetamidothiophen-2-yl)sulfanylacetic acid?
2-(3-acetamidothiophen-2-yl)sulfanylacetic acid has a molecular weight of 231.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidothiophen-2-yl)sulfanylacetic acid is sourced from PubChem (CID 12571971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).