1,5-dihydroindeno[1,2-d]pyrimidine-2-thione

C11H8N2S — CID 66489857

IUPAC1,5-dihydroindeno[1,2-d]pyrimidine-2-thione
SMILESS=c1ncc2c([nH]1)-c1ccccc1C2
InChIInChI=1S/C11H8N2S/c14-11-12-6-8-5-7-3-1-2-4-9(7)10(8)13-11/h1-4,6H,5H2,(H,12,13,14)
InChIKeyAVCMMKGVKFYARA-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.71
Rot. Bonds

About 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione

1,5-dihydroindeno[1,2-d]pyrimidine-2-thione (PubChem CID 66489857) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione.

Molecular Properties

Compound Name1,5-dihydroindeno[1,2-d]pyrimidine-2-thione
PubChem CID66489857
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name1,5-dihydroindeno[1,2-d]pyrimidine-2-thione
SMILESS=c1ncc2c([nH]1)-c1ccccc1C2
InChIInChI=1S/C11H8N2S/c14-11-12-6-8-5-7-3-1-2-4-9(7)10(8)13-11/h1-4,6H,5H2,(H,12,13,14)
InChIKeyAVCMMKGVKFYARA-UHFFFAOYSA-N
XLogP2.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dihydroindeno[1,2-d]pyrimidin-2-one
CID 66489815
cadmium;9H-fluorene
CID 175337736
5-fluoro-6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 106514472
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
bicyclo[4.2.0]octa-1,3,5-triene-7-thione
CID 54565931
5,6-dihydro-1H-benzo[h]quinazolin-2-one;phosphoryl trichloride
CID 91455611
9H-fluorene;sulfane;hydrate
CID 159057499
azane;9H-fluorene;hydrobromide
CID 174352852
ethene;9H-fluorene
CID 159544077
carbanide;bis(3,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene);ethane;methane;bis(yttrium)
CID 158315836

Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione?
The IUPAC name of 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione (CID 66489857) is 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione.
What is the SMILES notation for 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione?
The canonical SMILES for 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione is S=c1ncc2c([nH]1)-c1ccccc1C2.
What is the InChIKey of 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione?
The InChIKey is AVCMMKGVKFYARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c14-11-12-6-8-5-7-3-1-2-4-9(7)10(8)13-11/h1-4,6H,5H2,(H,12,13,14).
What are the key properties of 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione?
1,5-dihydroindeno[1,2-d]pyrimidine-2-thione has a molecular weight of 200.27 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroindeno[1,2-d]pyrimidine-2-thione is sourced from PubChem (CID 66489857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).