10-methyl-9H-acridine-1-carbothioic S-acid

C15H13NOS — CID 150025643

IUPAC10-methyl-9H-acridine-1-carbothioic S-acid
SMILESCN1c2ccccc2Cc2c(C(=O)S)cccc21
InChIInChI=1S/C15H13NOS/c1-16-13-7-3-2-5-10(13)9-12-11(15(17)18)6-4-8-14(12)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyDGEHJMGGGNWSCN-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.43
Rot. Bonds1

About 10-methyl-9H-acridine-1-carbothioic S-acid

10-methyl-9H-acridine-1-carbothioic S-acid (PubChem CID 150025643) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 10-methyl-9H-acridine-1-carbothioic S-acid.

Molecular Properties

Compound Name10-methyl-9H-acridine-1-carbothioic S-acid
PubChem CID150025643
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name10-methyl-9H-acridine-1-carbothioic S-acid
SMILESCN1c2ccccc2Cc2c(C(=O)S)cccc21
InChIInChI=1S/C15H13NOS/c1-16-13-7-3-2-5-10(13)9-12-11(15(17)18)6-4-8-14(12)16/h2-8H,9H2,1H3,(H,17,18)
InChIKeyDGEHJMGGGNWSCN-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-9H-acridine-1-carbothioic S-acid?
The IUPAC name of 10-methyl-9H-acridine-1-carbothioic S-acid (CID 150025643) is 10-methyl-9H-acridine-1-carbothioic S-acid.
What is the SMILES notation for 10-methyl-9H-acridine-1-carbothioic S-acid?
The canonical SMILES for 10-methyl-9H-acridine-1-carbothioic S-acid is CN1c2ccccc2Cc2c(C(=O)S)cccc21.
What is the InChIKey of 10-methyl-9H-acridine-1-carbothioic S-acid?
The InChIKey is DGEHJMGGGNWSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-16-13-7-3-2-5-10(13)9-12-11(15(17)18)6-4-8-14(12)16/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 10-methyl-9H-acridine-1-carbothioic S-acid?
10-methyl-9H-acridine-1-carbothioic S-acid has a molecular weight of 255.34 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9H-acridine-1-carbothioic S-acid is sourced from PubChem (CID 150025643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).