6-methylsulfanyl-1H-indole-2-carbaldehyde

C10H9NOS — CID 83915523

IUPAC6-methylsulfanyl-1H-indole-2-carbaldehyde
SMILESCSc1ccc2cc(C=O)[nH]c2c1
InChIInChI=1S/C10H9NOS/c1-13-9-3-2-7-4-8(6-12)11-10(7)5-9/h2-6,11H,1H3
InChIKeyZWEBOJVNYGOWCM-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.70
Rot. Bonds2

About 6-methylsulfanyl-1H-indole-2-carbaldehyde

6-methylsulfanyl-1H-indole-2-carbaldehyde (PubChem CID 83915523) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-methylsulfanyl-1H-indole-2-carbaldehyde.

Molecular Properties

Compound Name6-methylsulfanyl-1H-indole-2-carbaldehyde
PubChem CID83915523
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name6-methylsulfanyl-1H-indole-2-carbaldehyde
SMILESCSc1ccc2cc(C=O)[nH]c2c1
InChIInChI=1S/C10H9NOS/c1-13-9-3-2-7-4-8(6-12)11-10(7)5-9/h2-6,11H,1H3
InChIKeyZWEBOJVNYGOWCM-UHFFFAOYSA-N
XLogP2.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.70
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 6-methylsulfanyl-1H-indole-2-carbaldehyde?
The IUPAC name of 6-methylsulfanyl-1H-indole-2-carbaldehyde (CID 83915523) is 6-methylsulfanyl-1H-indole-2-carbaldehyde.
What is the SMILES notation for 6-methylsulfanyl-1H-indole-2-carbaldehyde?
The canonical SMILES for 6-methylsulfanyl-1H-indole-2-carbaldehyde is CSc1ccc2cc(C=O)[nH]c2c1.
What is the InChIKey of 6-methylsulfanyl-1H-indole-2-carbaldehyde?
The InChIKey is ZWEBOJVNYGOWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-13-9-3-2-7-4-8(6-12)11-10(7)5-9/h2-6,11H,1H3.
What are the key properties of 6-methylsulfanyl-1H-indole-2-carbaldehyde?
6-methylsulfanyl-1H-indole-2-carbaldehyde has a molecular weight of 191.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1H-indole-2-carbaldehyde is sourced from PubChem (CID 83915523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).