2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone

C8H7NO2S2 — CID 170138126

IUPAC2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESNC(O)C(=O)c1cc2sccc2s1
InChIInChI=1S/C8H7NO2S2/c9-8(11)7(10)6-3-5-4(13-6)1-2-12-5/h1-3,8,11H,9H2
InChIKeyHALUEYIKQHJHHL-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.42
Rot. Bonds2

About 2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone

2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone (PubChem CID 170138126) has the molecular formula C8H7NO2S2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone
PubChem CID170138126
Molecular FormulaC8H7NO2S2
Molecular Weight213.28 g/mol
Exact Mass212.99
IUPAC Name2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESNC(O)C(=O)c1cc2sccc2s1
InChIInChI=1S/C8H7NO2S2/c9-8(11)7(10)6-3-5-4(13-6)1-2-12-5/h1-3,8,11H,9H2
InChIKeyHALUEYIKQHJHHL-UHFFFAOYSA-N
XLogP1.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone?
The IUPAC name of 2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone (CID 170138126) is 2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone.
What is the SMILES notation for 2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone?
The canonical SMILES for 2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone is NC(O)C(=O)c1cc2sccc2s1.
What is the InChIKey of 2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone?
The InChIKey is HALUEYIKQHJHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S2/c9-8(11)7(10)6-3-5-4(13-6)1-2-12-5/h1-3,8,11H,9H2.
What are the key properties of 2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone?
2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone has a molecular weight of 213.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-hydroxy-1-thieno[3,2-b]thiophen-5-ylethanone is sourced from PubChem (CID 170138126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).