7-methyl-9-oxothioxanthene-3-carboxamide

C15H11NO2S — CID 10730685

IUPAC7-methyl-9-oxothioxanthene-3-carboxamide
SMILESCc1ccc2sc3cc(C(N)=O)ccc3c(=O)c2c1
InChIInChI=1S/C15H11NO2S/c1-8-2-5-12-11(6-8)14(17)10-4-3-9(15(16)18)7-13(10)19-12/h2-7H,1H3,(H2,16,18)
InChIKeyFRQXRQUCYBTSIB-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.82
Rot. Bonds1

About 7-methyl-9-oxothioxanthene-3-carboxamide

7-methyl-9-oxothioxanthene-3-carboxamide (PubChem CID 10730685) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 7-methyl-9-oxothioxanthene-3-carboxamide.

Molecular Properties

Compound Name7-methyl-9-oxothioxanthene-3-carboxamide
PubChem CID10730685
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Name7-methyl-9-oxothioxanthene-3-carboxamide
SMILESCc1ccc2sc3cc(C(N)=O)ccc3c(=O)c2c1
InChIInChI=1S/C15H11NO2S/c1-8-2-5-12-11(6-8)14(17)10-4-3-9(15(16)18)7-13(10)19-12/h2-7H,1H3,(H2,16,18)
InChIKeyFRQXRQUCYBTSIB-UHFFFAOYSA-N
XLogP2.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-methyl-9-oxothioxanthene-3-carboxylic acid chloride
CID 86587294
9-oxothioxanthene-3-carboxamide
CID 10848607
7-methyl-9-oxothioxanthene-3-carbonitrile
CID 10658399
3-(2,6-dimethyl-4-oxothiochromen-3-yl)-2,6-dimethylthiochromen-4-one
CID 10385011
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
2-methyl-1-benzothiophene-6-carboxamide
CID 142924497
7-(2-hydroxyethylamino)-9-oxothioxanthene-3-carboxylic acid
CID 10567335
11-bromo-2-methylnaphtho[2,3-b]thioxanthen-14-one
CID 59502538
1-(4-nitrophenyl)-9-oxothioxanthene-3,6-dicarboxamide
CID 175055968
benzoyl benzenecarboperoxoate;2,2-dimethyl-1-phenylpropan-1-one;diphenylmethanone;ethane;2-methylthioxanthen-9-one
CID 157450957
7-morpholin-4-yl-9-oxothioxanthene-3-carboxylic acid
CID 10807164
2-N,6-N-bis(5-nitrothiophen-2-yl)-9-oxothioxanthene-2,6-dicarboxamide
CID 154630141

Frequently Asked Questions

What is the IUPAC name of 7-methyl-9-oxothioxanthene-3-carboxamide?
The IUPAC name of 7-methyl-9-oxothioxanthene-3-carboxamide (CID 10730685) is 7-methyl-9-oxothioxanthene-3-carboxamide.
What is the SMILES notation for 7-methyl-9-oxothioxanthene-3-carboxamide?
The canonical SMILES for 7-methyl-9-oxothioxanthene-3-carboxamide is Cc1ccc2sc3cc(C(N)=O)ccc3c(=O)c2c1.
What is the InChIKey of 7-methyl-9-oxothioxanthene-3-carboxamide?
The InChIKey is FRQXRQUCYBTSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-8-2-5-12-11(6-8)14(17)10-4-3-9(15(16)18)7-13(10)19-12/h2-7H,1H3,(H2,16,18).
What are the key properties of 7-methyl-9-oxothioxanthene-3-carboxamide?
7-methyl-9-oxothioxanthene-3-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-9-oxothioxanthene-3-carboxamide is sourced from PubChem (CID 10730685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).