2-methyl-7-sulfanylchromen-4-one

C10H8O2S — CID 15171696

IUPAC2-methyl-7-sulfanylchromen-4-one
SMILESCc1cc(=O)c2ccc(S)cc2o1
InChIInChI=1S/C10H8O2S/c1-6-4-9(11)8-3-2-7(13)5-10(8)12-6/h2-5,13H,1H3
InChIKeyWWRZIKVQYSPJTQ-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.39
Rot. Bonds

About 2-methyl-7-sulfanylchromen-4-one

2-methyl-7-sulfanylchromen-4-one (PubChem CID 15171696) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-methyl-7-sulfanylchromen-4-one.

Molecular Properties

Compound Name2-methyl-7-sulfanylchromen-4-one
PubChem CID15171696
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name2-methyl-7-sulfanylchromen-4-one
SMILESCc1cc(=O)c2ccc(S)cc2o1
InChIInChI=1S/C10H8O2S/c1-6-4-9(11)8-3-2-7(13)5-10(8)12-6/h2-5,13H,1H3
InChIKeyWWRZIKVQYSPJTQ-UHFFFAOYSA-N
XLogP2.39
TPSA30.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-methyl-7-sulfanylchromen-4-one 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 2-methyl-7-sulfanylchromen-4-one?
The IUPAC name of 2-methyl-7-sulfanylchromen-4-one (CID 15171696) is 2-methyl-7-sulfanylchromen-4-one.
What is the SMILES notation for 2-methyl-7-sulfanylchromen-4-one?
The canonical SMILES for 2-methyl-7-sulfanylchromen-4-one is Cc1cc(=O)c2ccc(S)cc2o1.
What is the InChIKey of 2-methyl-7-sulfanylchromen-4-one?
The InChIKey is WWRZIKVQYSPJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c1-6-4-9(11)8-3-2-7(13)5-10(8)12-6/h2-5,13H,1H3.
What are the key properties of 2-methyl-7-sulfanylchromen-4-one?
2-methyl-7-sulfanylchromen-4-one has a molecular weight of 192.24 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-sulfanylchromen-4-one is sourced from PubChem (CID 15171696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).