thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine

C11H13NOS2 — CID 161014446

IUPACthiophene-3-carbaldehyde;1-thiophen-3-ylethanamine
SMILESCC(N)c1ccsc1.O=Cc1ccsc1
InChIInChI=1S/C6H9NS.C5H4OS/c1-5(7)6-2-3-8-4-6;6-3-5-1-2-7-4-5/h2-5H,7H2,1H3;1-4H
InChIKeyTXNSZEFXCQVGFV-UHFFFAOYSA-N
MW239.37 g/mol
LogP3.33
Rot. Bonds2

About thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine

thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine (PubChem CID 161014446) has the molecular formula C11H13NOS2 and a molecular weight of 239.37 g/mol. Its IUPAC name is thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine.

Molecular Properties

Compound Namethiophene-3-carbaldehyde;1-thiophen-3-ylethanamine
PubChem CID161014446
Molecular FormulaC11H13NOS2
Molecular Weight239.37 g/mol
Exact Mass239.04
IUPAC Namethiophene-3-carbaldehyde;1-thiophen-3-ylethanamine
SMILESCC(N)c1ccsc1.O=Cc1ccsc1
InChIInChI=1S/C6H9NS.C5H4OS/c1-5(7)6-2-3-8-4-6;6-3-5-1-2-7-4-5/h2-5H,7H2,1H3;1-4H
InChIKeyTXNSZEFXCQVGFV-UHFFFAOYSA-N
XLogP3.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine?
The IUPAC name of thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine (CID 161014446) is thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine.
What is the SMILES notation for thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine?
The canonical SMILES for thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine is CC(N)c1ccsc1.O=Cc1ccsc1.
What is the InChIKey of thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine?
The InChIKey is TXNSZEFXCQVGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C5H4OS/c1-5(7)6-2-3-8-4-6;6-3-5-1-2-7-4-5/h2-5H,7H2,1H3;1-4H.
What are the key properties of thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine?
thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine has a molecular weight of 239.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-3-carbaldehyde;1-thiophen-3-ylethanamine is sourced from PubChem (CID 161014446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).