S-methyl 9,10-dihydroacridine-9-carbothioate

C15H13NOS — CID 22084705

IUPACS-methyl 9,10-dihydroacridine-9-carbothioate
SMILESCSC(=O)C1c2ccccc2Nc2ccccc21
InChIInChI=1S/C15H13NOS/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9,14,16H,1H3
InChIKeyICYMGIANECTQQZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.77
Rot. Bonds1

About S-methyl 9,10-dihydroacridine-9-carbothioate

S-methyl 9,10-dihydroacridine-9-carbothioate (PubChem CID 22084705) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is S-methyl 9,10-dihydroacridine-9-carbothioate.

Molecular Properties

Compound NameS-methyl 9,10-dihydroacridine-9-carbothioate
PubChem CID22084705
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC NameS-methyl 9,10-dihydroacridine-9-carbothioate
SMILESCSC(=O)C1c2ccccc2Nc2ccccc21
InChIInChI=1S/C15H13NOS/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9,14,16H,1H3
InChIKeyICYMGIANECTQQZ-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-methyl 9,10-dihydroacridine-9-carbothioate?
The IUPAC name of S-methyl 9,10-dihydroacridine-9-carbothioate (CID 22084705) is S-methyl 9,10-dihydroacridine-9-carbothioate.
What is the SMILES notation for S-methyl 9,10-dihydroacridine-9-carbothioate?
The canonical SMILES for S-methyl 9,10-dihydroacridine-9-carbothioate is CSC(=O)C1c2ccccc2Nc2ccccc21.
What is the InChIKey of S-methyl 9,10-dihydroacridine-9-carbothioate?
The InChIKey is ICYMGIANECTQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9,14,16H,1H3.
What are the key properties of S-methyl 9,10-dihydroacridine-9-carbothioate?
S-methyl 9,10-dihydroacridine-9-carbothioate has a molecular weight of 255.34 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-methyl 9,10-dihydroacridine-9-carbothioate is sourced from PubChem (CID 22084705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).