1,3-dihydroindole-2-thione

C8H7NS — CID 3032310

IUPAC1,3-dihydroindole-2-thione
SMILESS=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NS/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
InChIKeyIGJWTYFTQNHSEK-UHFFFAOYSA-N
MW149.22 g/mol
LogP1.98
Rot. Bonds

About 1,3-dihydroindole-2-thione

1,3-dihydroindole-2-thione (PubChem CID 3032310) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 1,3-dihydroindole-2-thione.

Molecular Properties

Compound Name1,3-dihydroindole-2-thione
PubChem CID3032310
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name1,3-dihydroindole-2-thione
SMILESS=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NS/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
InChIKeyIGJWTYFTQNHSEK-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroindole-2-thione?
The IUPAC name of 1,3-dihydroindole-2-thione (CID 3032310) is 1,3-dihydroindole-2-thione.
What is the SMILES notation for 1,3-dihydroindole-2-thione?
The canonical SMILES for 1,3-dihydroindole-2-thione is S=C1Cc2ccccc2N1.
What is the InChIKey of 1,3-dihydroindole-2-thione?
The InChIKey is IGJWTYFTQNHSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10).
What are the key properties of 1,3-dihydroindole-2-thione?
1,3-dihydroindole-2-thione has a molecular weight of 149.22 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroindole-2-thione is sourced from PubChem (CID 3032310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).