5-aminothieno[2,3-b]thiophene-3-carbaldehyde

C7H5NOS2 — CID 133057843

IUPAC5-aminothieno[2,3-b]thiophene-3-carbaldehyde
SMILESNc1cc2c(C=O)csc2s1
InChIInChI=1S/C7H5NOS2/c8-6-1-5-4(2-9)3-10-7(5)11-6/h1-3H,8H2
InChIKeySZSWXRWQDIMJCH-UHFFFAOYSA-N
MW183.26 g/mol
LogP2.36
Rot. Bonds1

About 5-aminothieno[2,3-b]thiophene-3-carbaldehyde

5-aminothieno[2,3-b]thiophene-3-carbaldehyde (PubChem CID 133057843) has the molecular formula C7H5NOS2 and a molecular weight of 183.26 g/mol. Its IUPAC name is 5-aminothieno[2,3-b]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-aminothieno[2,3-b]thiophene-3-carbaldehyde
PubChem CID133057843
Molecular FormulaC7H5NOS2
Molecular Weight183.26 g/mol
Exact Mass182.98
IUPAC Name5-aminothieno[2,3-b]thiophene-3-carbaldehyde
SMILESNc1cc2c(C=O)csc2s1
InChIInChI=1S/C7H5NOS2/c8-6-1-5-4(2-9)3-10-7(5)11-6/h1-3H,8H2
InChIKeySZSWXRWQDIMJCH-UHFFFAOYSA-N
XLogP2.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-iodo-1-benzothiophene-3-carbaldehyde
CID 130816591
2-amino-4-iodo-1-benzothiophene-5-carbaldehyde
CID 130985270
4,5-dimethylthiophene-3-carbaldehyde
CID 14335813
6-methyl-1-benzothiophene-3-carbaldehyde
CID 82374207
5-amino-7-(bromomethyl)-1-benzothiophene-3-carbaldehyde
CID 130865990
2-amino-6-methyl-1-benzothiophene-5-carbaldehyde
CID 131218553
5-amino-6-methoxy-1-benzothiophene-3-carbaldehyde
CID 130840079
4-amino-6-methyl-1-benzothiophene-3-carbaldehyde
CID 130820817
6-amino-7-methylsulfanyl-1-benzothiophene-3-carbaldehyde
CID 130788590
5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde
CID 82375563
6-bromo-7-methyl-1-benzothiophene-3-carbaldehyde
CID 620689
6-chloro-5-iodo-1-benzothiophene-3-carbaldehyde
CID 130914419

Frequently Asked Questions

What is the IUPAC name of 5-aminothieno[2,3-b]thiophene-3-carbaldehyde?
The IUPAC name of 5-aminothieno[2,3-b]thiophene-3-carbaldehyde (CID 133057843) is 5-aminothieno[2,3-b]thiophene-3-carbaldehyde.
What is the SMILES notation for 5-aminothieno[2,3-b]thiophene-3-carbaldehyde?
The canonical SMILES for 5-aminothieno[2,3-b]thiophene-3-carbaldehyde is Nc1cc2c(C=O)csc2s1.
What is the InChIKey of 5-aminothieno[2,3-b]thiophene-3-carbaldehyde?
The InChIKey is SZSWXRWQDIMJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS2/c8-6-1-5-4(2-9)3-10-7(5)11-6/h1-3H,8H2.
What are the key properties of 5-aminothieno[2,3-b]thiophene-3-carbaldehyde?
5-aminothieno[2,3-b]thiophene-3-carbaldehyde has a molecular weight of 183.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminothieno[2,3-b]thiophene-3-carbaldehyde is sourced from PubChem (CID 133057843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).