5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride

C19H19ClN2S — CID 10246807

IUPAC5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride
SMILESCSC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1.[Cl-]
InChIInChI=1S/C19H18N2S.ClH/c1-12-16-10-21(11-22-3)9-8-14(16)13(2)19-18(12)15-6-4-5-7-17(15)20-19;/h4-10H,11H2,1-3H3;1H
InChIKeyTXUJZZLDEQPEDT-UHFFFAOYSA-N
MW342.90 g/mol
LogP1.70
Rot. Bonds2

About 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride

5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride (PubChem CID 10246807) has the molecular formula C19H19ClN2S and a molecular weight of 342.90 g/mol. Its IUPAC name is 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride.

Molecular Properties

Compound Name5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride
PubChem CID10246807
Molecular FormulaC19H19ClN2S
Molecular Weight342.90 g/mol
Exact Mass342.10
IUPAC Name5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride
SMILESCSC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1.[Cl-]
InChIInChI=1S/C19H18N2S.ClH/c1-12-16-10-21(11-22-3)9-8-14(16)13(2)19-18(12)15-6-4-5-7-17(15)20-19;/h4-10H,11H2,1-3H3;1H
InChIKeyTXUJZZLDEQPEDT-UHFFFAOYSA-N
XLogP1.70
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride 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 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride?
The IUPAC name of 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride (CID 10246807) is 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride.
What is the SMILES notation for 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride?
The canonical SMILES for 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride is CSC[n+]1ccc2c(C)c3[nH]c4ccccc4c3c(C)c2c1.[Cl-].
What is the InChIKey of 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride?
The InChIKey is TXUJZZLDEQPEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2S.ClH/c1-12-16-10-21(11-22-3)9-8-14(16)13(2)19-18(12)15-6-4-5-7-17(15)20-19;/h4-10H,11H2,1-3H3;1H.
What are the key properties of 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride?
5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride has a molecular weight of 342.90 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-2-(methylsulfanylmethyl)-6H-pyrido[4,3-b]carbazol-2-ium chloride is sourced from PubChem (CID 10246807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).