7-methyl-2-(4-methylphenyl)chromene-4-thione

C17H14OS — CID 46232005

IUPAC7-methyl-2-(4-methylphenyl)chromene-4-thione
SMILESCc1ccc(-c2cc(=S)c3ccc(C)cc3o2)cc1
InChIInChI=1S/C17H14OS/c1-11-3-6-13(7-4-11)15-10-17(19)14-8-5-12(2)9-16(14)18-15/h3-10H,1-2H3
InChIKeyLDIMKSQQZFWQLA-UHFFFAOYSA-N
MW266.37 g/mol
LogP5.45
Rot. Bonds1

About 7-methyl-2-(4-methylphenyl)chromene-4-thione

7-methyl-2-(4-methylphenyl)chromene-4-thione (PubChem CID 46232005) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 7-methyl-2-(4-methylphenyl)chromene-4-thione.

Molecular Properties

Compound Name7-methyl-2-(4-methylphenyl)chromene-4-thione
PubChem CID46232005
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name7-methyl-2-(4-methylphenyl)chromene-4-thione
SMILESCc1ccc(-c2cc(=S)c3ccc(C)cc3o2)cc1
InChIInChI=1S/C17H14OS/c1-11-3-6-13(7-4-11)15-10-17(19)14-8-5-12(2)9-16(14)18-15/h3-10H,1-2H3
InChIKeyLDIMKSQQZFWQLA-UHFFFAOYSA-N
XLogP5.45
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.37
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methyl-2-(4-methylphenyl)chromene-4-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 7-methyl-2-(4-methylphenyl)chromene-4-thione?
The IUPAC name of 7-methyl-2-(4-methylphenyl)chromene-4-thione (CID 46232005) is 7-methyl-2-(4-methylphenyl)chromene-4-thione.
What is the SMILES notation for 7-methyl-2-(4-methylphenyl)chromene-4-thione?
The canonical SMILES for 7-methyl-2-(4-methylphenyl)chromene-4-thione is Cc1ccc(-c2cc(=S)c3ccc(C)cc3o2)cc1.
What is the InChIKey of 7-methyl-2-(4-methylphenyl)chromene-4-thione?
The InChIKey is LDIMKSQQZFWQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c1-11-3-6-13(7-4-11)15-10-17(19)14-8-5-12(2)9-16(14)18-15/h3-10H,1-2H3.
What are the key properties of 7-methyl-2-(4-methylphenyl)chromene-4-thione?
7-methyl-2-(4-methylphenyl)chromene-4-thione has a molecular weight of 266.37 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(4-methylphenyl)chromene-4-thione is sourced from PubChem (CID 46232005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).