3-phenyl-1H-quinazoline-2,4-dithione

C14H10N2S2 — CID 3008080

IUPAC3-phenyl-1H-quinazoline-2,4-dithione
SMILESS=c1[nH]c2ccccc2c(=S)n1-c1ccccc1
InChIInChI=1S/C14H10N2S2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKeyDJJOAJCVIYRELX-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.42
Rot. Bonds1

About 3-phenyl-1H-quinazoline-2,4-dithione

3-phenyl-1H-quinazoline-2,4-dithione (PubChem CID 3008080) has the molecular formula C14H10N2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-phenyl-1H-quinazoline-2,4-dithione.

Molecular Properties

Compound Name3-phenyl-1H-quinazoline-2,4-dithione
PubChem CID3008080
Molecular FormulaC14H10N2S2
Molecular Weight270.38 g/mol
Exact Mass270.03
IUPAC Name3-phenyl-1H-quinazoline-2,4-dithione
SMILESS=c1[nH]c2ccccc2c(=S)n1-c1ccccc1
InChIInChI=1S/C14H10N2S2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18)
InChIKeyDJJOAJCVIYRELX-UHFFFAOYSA-N
XLogP4.42
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-phenyl-1H-quinazoline-2,4-dithione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1H-quinazoline-2,4-dithione?
The IUPAC name of 3-phenyl-1H-quinazoline-2,4-dithione (CID 3008080) is 3-phenyl-1H-quinazoline-2,4-dithione.
What is the SMILES notation for 3-phenyl-1H-quinazoline-2,4-dithione?
The canonical SMILES for 3-phenyl-1H-quinazoline-2,4-dithione is S=c1[nH]c2ccccc2c(=S)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-1H-quinazoline-2,4-dithione?
The InChIKey is DJJOAJCVIYRELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-9H,(H,15,18).
What are the key properties of 3-phenyl-1H-quinazoline-2,4-dithione?
3-phenyl-1H-quinazoline-2,4-dithione has a molecular weight of 270.38 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1H-quinazoline-2,4-dithione is sourced from PubChem (CID 3008080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).