1,3-dihydroindol-2-ylidenemethanethione

C9H7NS — CID 87370555

IUPAC1,3-dihydroindol-2-ylidenemethanethione
SMILESS=C=C1Cc2ccccc2N1
InChIInChI=1S/C9H7NS/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,10H,5H2
InChIKeyJFPCYOJJXUBVCK-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.14
Rot. Bonds

About 1,3-dihydroindol-2-ylidenemethanethione

1,3-dihydroindol-2-ylidenemethanethione (PubChem CID 87370555) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is 1,3-dihydroindol-2-ylidenemethanethione.

Molecular Properties

Compound Name1,3-dihydroindol-2-ylidenemethanethione
PubChem CID87370555
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Name1,3-dihydroindol-2-ylidenemethanethione
SMILESS=C=C1Cc2ccccc2N1
InChIInChI=1S/C9H7NS/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,10H,5H2
InChIKeyJFPCYOJJXUBVCK-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dihydroindol-2-ylidenemethanethione?
The IUPAC name of 1,3-dihydroindol-2-ylidenemethanethione (CID 87370555) is 1,3-dihydroindol-2-ylidenemethanethione.
What is the SMILES notation for 1,3-dihydroindol-2-ylidenemethanethione?
The canonical SMILES for 1,3-dihydroindol-2-ylidenemethanethione is S=C=C1Cc2ccccc2N1.
What is the InChIKey of 1,3-dihydroindol-2-ylidenemethanethione?
The InChIKey is JFPCYOJJXUBVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS/c11-6-8-5-7-3-1-2-4-9(7)10-8/h1-4,10H,5H2.
What are the key properties of 1,3-dihydroindol-2-ylidenemethanethione?
1,3-dihydroindol-2-ylidenemethanethione has a molecular weight of 161.23 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroindol-2-ylidenemethanethione is sourced from PubChem (CID 87370555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).