6-bromo-4-methylquinoline-3-thiol;methanamine

C11H13BrN2S — CID 155715613

IUPAC6-bromo-4-methylquinoline-3-thiol;methanamine
SMILESCN.Cc1c(S)cnc2ccc(Br)cc12
InChIInChI=1S/C10H8BrNS.CH5N/c1-6-8-4-7(11)2-3-9(8)12-5-10(6)13;1-2/h2-5,13H,1H3;2H2,1H3
InChIKeyLNSYBUGBKMEONH-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.17
Rot. Bonds

About 6-bromo-4-methylquinoline-3-thiol;methanamine

6-bromo-4-methylquinoline-3-thiol;methanamine (PubChem CID 155715613) has the molecular formula C11H13BrN2S and a molecular weight of 285.21 g/mol. Its IUPAC name is 6-bromo-4-methylquinoline-3-thiol;methanamine.

Molecular Properties

Compound Name6-bromo-4-methylquinoline-3-thiol;methanamine
PubChem CID155715613
Molecular FormulaC11H13BrN2S
Molecular Weight285.21 g/mol
Exact Mass284.00
IUPAC Name6-bromo-4-methylquinoline-3-thiol;methanamine
SMILESCN.Cc1c(S)cnc2ccc(Br)cc12
InChIInChI=1S/C10H8BrNS.CH5N/c1-6-8-4-7(11)2-3-9(8)12-5-10(6)13;1-2/h2-5,13H,1H3;2H2,1H3
InChIKeyLNSYBUGBKMEONH-UHFFFAOYSA-N
XLogP3.17
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-methylquinolin-6-ol
CID 170127970
4-amino-6-bromoquinoline-3-carboxylic acid
CID 46397798
9-bromobenzo[f][2,7]naphthyridin-4-amine
CID 69170958
4-amino-6-bromoquinoline-3-carbaldehyde
CID 144846091
6-bromo-4-(2-fluoro-5-methylphenoxy)quinolin-3-amine
CID 64854002
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
1-(6-bromo-4-methylquinolin-3-yl)-3-pyridin-3-ylpropan-2-one;ethane
CID 158252107
N-(6-bromo-4-methylquinolin-3-yl)-N-methylacetamide;methylcyclobutane
CID 144956349
2-(3-amino-6-bromo-4-methylquinolin-2-yl)propan-2-ol
CID 132590349
6-bromo-4-N-(5-bromo-2-fluorophenyl)quinoline-3,4-diamine
CID 43621343
6-bromo-4-phenoxyquinolin-3-amine
CID 43621409
6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
CID 43621123

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methylquinoline-3-thiol;methanamine?
The IUPAC name of 6-bromo-4-methylquinoline-3-thiol;methanamine (CID 155715613) is 6-bromo-4-methylquinoline-3-thiol;methanamine.
What is the SMILES notation for 6-bromo-4-methylquinoline-3-thiol;methanamine?
The canonical SMILES for 6-bromo-4-methylquinoline-3-thiol;methanamine is CN.Cc1c(S)cnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-4-methylquinoline-3-thiol;methanamine?
The InChIKey is LNSYBUGBKMEONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS.CH5N/c1-6-8-4-7(11)2-3-9(8)12-5-10(6)13;1-2/h2-5,13H,1H3;2H2,1H3.
What are the key properties of 6-bromo-4-methylquinoline-3-thiol;methanamine?
6-bromo-4-methylquinoline-3-thiol;methanamine has a molecular weight of 285.21 g/mol, XLogP of 3.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methylquinoline-3-thiol;methanamine is sourced from PubChem (CID 155715613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).