2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde

C11H14N2S — CID 130018407

IUPAC2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde
SMILESCCN1c2ccccc2C(C=S)C1N
InChIInChI=1S/C11H14N2S/c1-2-13-10-6-4-3-5-8(10)9(7-14)11(13)12/h3-7,9,11H,2,12H2,1H3
InChIKeyIMBSJLITWPLURI-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.89
Rot. Bonds2

About 2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde

2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde (PubChem CID 130018407) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde.

Molecular Properties

Compound Name2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde
PubChem CID130018407
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde
SMILESCCN1c2ccccc2C(C=S)C1N
InChIInChI=1S/C11H14N2S/c1-2-13-10-6-4-3-5-8(10)9(7-14)11(13)12/h3-7,9,11H,2,12H2,1H3
InChIKeyIMBSJLITWPLURI-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde?
The IUPAC name of 2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde (CID 130018407) is 2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde.
What is the SMILES notation for 2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde?
The canonical SMILES for 2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde is CCN1c2ccccc2C(C=S)C1N.
What is the InChIKey of 2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde?
The InChIKey is IMBSJLITWPLURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-13-10-6-4-3-5-8(10)9(7-14)11(13)12/h3-7,9,11H,2,12H2,1H3.
What are the key properties of 2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde?
2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde has a molecular weight of 206.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-2,3-dihydroindole-3-carbothialdehyde is sourced from PubChem (CID 130018407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).