9H-carbazole;thiophene-2-carbaldehyde

C17H13NOS — CID 174706827

IUPAC9H-carbazole;thiophene-2-carbaldehyde
SMILESO=Cc1cccs1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C5H4OS/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;6-4-5-2-1-3-7-5/h1-8,13H;1-4H
InChIKeyCKIATIQOAHHEMQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.88
Rot. Bonds1

About 9H-carbazole;thiophene-2-carbaldehyde

9H-carbazole;thiophene-2-carbaldehyde (PubChem CID 174706827) has the molecular formula C17H13NOS and a molecular weight of 279.36 g/mol. Its IUPAC name is 9H-carbazole;thiophene-2-carbaldehyde.

Molecular Properties

Compound Name9H-carbazole;thiophene-2-carbaldehyde
PubChem CID174706827
Molecular FormulaC17H13NOS
Molecular Weight279.36 g/mol
Exact Mass279.07
IUPAC Name9H-carbazole;thiophene-2-carbaldehyde
SMILESO=Cc1cccs1.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C12H9N.C5H4OS/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;6-4-5-2-1-3-7-5/h1-8,13H;1-4H
InChIKeyCKIATIQOAHHEMQ-UHFFFAOYSA-N
XLogP4.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;thiophene-2-carbaldehyde?
The IUPAC name of 9H-carbazole;thiophene-2-carbaldehyde (CID 174706827) is 9H-carbazole;thiophene-2-carbaldehyde.
What is the SMILES notation for 9H-carbazole;thiophene-2-carbaldehyde?
The canonical SMILES for 9H-carbazole;thiophene-2-carbaldehyde is O=Cc1cccs1.c1ccc2c(c1)[nH]c1ccccc12.
What is the InChIKey of 9H-carbazole;thiophene-2-carbaldehyde?
The InChIKey is CKIATIQOAHHEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N.C5H4OS/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;6-4-5-2-1-3-7-5/h1-8,13H;1-4H.
What are the key properties of 9H-carbazole;thiophene-2-carbaldehyde?
9H-carbazole;thiophene-2-carbaldehyde has a molecular weight of 279.36 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;thiophene-2-carbaldehyde is sourced from PubChem (CID 174706827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).