3-methyl-10-sulfanylideneanthracen-9-one

C15H10OS — CID 139845298

IUPAC3-methyl-10-sulfanylideneanthracen-9-one
SMILESCc1ccc2c(c1)C(=S)c1ccccc1C2=O
InChIInChI=1S/C15H10OS/c1-9-6-7-11-13(8-9)15(17)12-5-3-2-4-10(12)14(11)16/h2-8H,1H3
InChIKeyYDUITPBITHUGRR-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.31
Rot. Bonds

About 3-methyl-10-sulfanylideneanthracen-9-one

3-methyl-10-sulfanylideneanthracen-9-one (PubChem CID 139845298) has the molecular formula C15H10OS and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-methyl-10-sulfanylideneanthracen-9-one.

Molecular Properties

Compound Name3-methyl-10-sulfanylideneanthracen-9-one
PubChem CID139845298
Molecular FormulaC15H10OS
Molecular Weight238.31 g/mol
Exact Mass238.05
IUPAC Name3-methyl-10-sulfanylideneanthracen-9-one
SMILESCc1ccc2c(c1)C(=S)c1ccccc1C2=O
InChIInChI=1S/C15H10OS/c1-9-6-7-11-13(8-9)15(17)12-5-3-2-4-10(12)14(11)16/h2-8H,1H3
InChIKeyYDUITPBITHUGRR-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-methyl-10-sulfanylideneanthracen-9-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 3-methyl-10-sulfanylideneanthracen-9-one?
The IUPAC name of 3-methyl-10-sulfanylideneanthracen-9-one (CID 139845298) is 3-methyl-10-sulfanylideneanthracen-9-one.
What is the SMILES notation for 3-methyl-10-sulfanylideneanthracen-9-one?
The canonical SMILES for 3-methyl-10-sulfanylideneanthracen-9-one is Cc1ccc2c(c1)C(=S)c1ccccc1C2=O.
What is the InChIKey of 3-methyl-10-sulfanylideneanthracen-9-one?
The InChIKey is YDUITPBITHUGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10OS/c1-9-6-7-11-13(8-9)15(17)12-5-3-2-4-10(12)14(11)16/h2-8H,1H3.
What are the key properties of 3-methyl-10-sulfanylideneanthracen-9-one?
3-methyl-10-sulfanylideneanthracen-9-one has a molecular weight of 238.31 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-sulfanylideneanthracen-9-one is sourced from PubChem (CID 139845298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).