4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione

C12H10N2OS — CID 175772410

IUPAC4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione
SMILESS=C1N=CC(C2CCc3ccccc3O2)=N1
InChIInChI=1S/C12H10N2OS/c16-12-13-7-9(14-12)11-6-5-8-3-1-2-4-10(8)15-11/h1-4,7,11H,5-6H2
InChIKeyAWPFNRCUIQXABN-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.19
Rot. Bonds1

About 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione

4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione (PubChem CID 175772410) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione
PubChem CID175772410
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione
SMILESS=C1N=CC(C2CCc3ccccc3O2)=N1
InChIInChI=1S/C12H10N2OS/c16-12-13-7-9(14-12)11-6-5-8-3-1-2-4-10(8)15-11/h1-4,7,11H,5-6H2
InChIKeyAWPFNRCUIQXABN-UHFFFAOYSA-N
XLogP2.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-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

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione (CID 175772410) is 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione is S=C1N=CC(C2CCc3ccccc3O2)=N1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione?
The InChIKey is AWPFNRCUIQXABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c16-12-13-7-9(14-12)11-6-5-8-3-1-2-4-10(8)15-11/h1-4,7,11H,5-6H2.
What are the key properties of 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione?
4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione has a molecular weight of 230.29 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-2-yl)imidazole-2-thione is sourced from PubChem (CID 175772410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).