2-(1H-imidazol-2-yl)chromene-4-thione

C12H8N2OS — CID 21465608

IUPAC2-(1H-imidazol-2-yl)chromene-4-thione
SMILESS=c1cc(-c2ncc[nH]2)oc2ccccc12
InChIInChI=1S/C12H8N2OS/c16-11-7-10(12-13-5-6-14-12)15-9-4-2-1-3-8(9)11/h1-7H,(H,13,14)
InChIKeyHWMGORCIQOVMBV-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.55
Rot. Bonds1

About 2-(1H-imidazol-2-yl)chromene-4-thione

2-(1H-imidazol-2-yl)chromene-4-thione (PubChem CID 21465608) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)chromene-4-thione.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)chromene-4-thione
PubChem CID21465608
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name2-(1H-imidazol-2-yl)chromene-4-thione
SMILESS=c1cc(-c2ncc[nH]2)oc2ccccc12
InChIInChI=1S/C12H8N2OS/c16-11-7-10(12-13-5-6-14-12)15-9-4-2-1-3-8(9)11/h1-7H,(H,13,14)
InChIKeyHWMGORCIQOVMBV-UHFFFAOYSA-N
XLogP3.55
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(1H-imidazol-2-yl)chromene-4-thione?
The IUPAC name of 2-(1H-imidazol-2-yl)chromene-4-thione (CID 21465608) is 2-(1H-imidazol-2-yl)chromene-4-thione.
What is the SMILES notation for 2-(1H-imidazol-2-yl)chromene-4-thione?
The canonical SMILES for 2-(1H-imidazol-2-yl)chromene-4-thione is S=c1cc(-c2ncc[nH]2)oc2ccccc12.
What is the InChIKey of 2-(1H-imidazol-2-yl)chromene-4-thione?
The InChIKey is HWMGORCIQOVMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c16-11-7-10(12-13-5-6-14-12)15-9-4-2-1-3-8(9)11/h1-7H,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-yl)chromene-4-thione?
2-(1H-imidazol-2-yl)chromene-4-thione has a molecular weight of 228.28 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)chromene-4-thione is sourced from PubChem (CID 21465608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).