7-methyl-2-phenylchromene-4-thione

C16H12OS — CID 15120965

IUPAC7-methyl-2-phenylchromene-4-thione
SMILESCc1ccc2c(=S)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C16H12OS/c1-11-7-8-13-15(9-11)17-14(10-16(13)18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyNTVVZIFVZWJZGD-UHFFFAOYSA-N
MW252.34 g/mol
LogP5.14
Rot. Bonds1

About 7-methyl-2-phenylchromene-4-thione

7-methyl-2-phenylchromene-4-thione (PubChem CID 15120965) has the molecular formula C16H12OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 7-methyl-2-phenylchromene-4-thione.

Molecular Properties

Compound Name7-methyl-2-phenylchromene-4-thione
PubChem CID15120965
Molecular FormulaC16H12OS
Molecular Weight252.34 g/mol
Exact Mass252.06
IUPAC Name7-methyl-2-phenylchromene-4-thione
SMILESCc1ccc2c(=S)cc(-c3ccccc3)oc2c1
InChIInChI=1S/C16H12OS/c1-11-7-8-13-15(9-11)17-14(10-16(13)18)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyNTVVZIFVZWJZGD-UHFFFAOYSA-N
XLogP5.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.34
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methyl-2-phenylchromene-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-phenylchromene-4-thione?
The IUPAC name of 7-methyl-2-phenylchromene-4-thione (CID 15120965) is 7-methyl-2-phenylchromene-4-thione.
What is the SMILES notation for 7-methyl-2-phenylchromene-4-thione?
The canonical SMILES for 7-methyl-2-phenylchromene-4-thione is Cc1ccc2c(=S)cc(-c3ccccc3)oc2c1.
What is the InChIKey of 7-methyl-2-phenylchromene-4-thione?
The InChIKey is NTVVZIFVZWJZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OS/c1-11-7-8-13-15(9-11)17-14(10-16(13)18)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 7-methyl-2-phenylchromene-4-thione?
7-methyl-2-phenylchromene-4-thione has a molecular weight of 252.34 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenylchromene-4-thione is sourced from PubChem (CID 15120965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).