8-bromo-2-methyl-1H-quinoline-4-thione

C10H8BrNS — CID 43840357

IUPAC8-bromo-2-methyl-1H-quinoline-4-thione
SMILESCc1cc(=S)c2cccc(Br)c2[nH]1
InChIInChI=1S/C10H8BrNS/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13)
InChIKeyTVLBQRFFJRRHNC-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.97
Rot. Bonds

About 8-bromo-2-methyl-1H-quinoline-4-thione

8-bromo-2-methyl-1H-quinoline-4-thione (PubChem CID 43840357) has the molecular formula C10H8BrNS and a molecular weight of 254.15 g/mol. Its IUPAC name is 8-bromo-2-methyl-1H-quinoline-4-thione.

Molecular Properties

Compound Name8-bromo-2-methyl-1H-quinoline-4-thione
PubChem CID43840357
Molecular FormulaC10H8BrNS
Molecular Weight254.15 g/mol
Exact Mass252.96
IUPAC Name8-bromo-2-methyl-1H-quinoline-4-thione
SMILESCc1cc(=S)c2cccc(Br)c2[nH]1
InChIInChI=1S/C10H8BrNS/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13)
InChIKeyTVLBQRFFJRRHNC-UHFFFAOYSA-N
XLogP3.97
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methyl-1H-quinoline-4-thione?
The IUPAC name of 8-bromo-2-methyl-1H-quinoline-4-thione (CID 43840357) is 8-bromo-2-methyl-1H-quinoline-4-thione.
What is the SMILES notation for 8-bromo-2-methyl-1H-quinoline-4-thione?
The canonical SMILES for 8-bromo-2-methyl-1H-quinoline-4-thione is Cc1cc(=S)c2cccc(Br)c2[nH]1.
What is the InChIKey of 8-bromo-2-methyl-1H-quinoline-4-thione?
The InChIKey is TVLBQRFFJRRHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS/c1-6-5-9(13)7-3-2-4-8(11)10(7)12-6/h2-5H,1H3,(H,12,13).
What are the key properties of 8-bromo-2-methyl-1H-quinoline-4-thione?
8-bromo-2-methyl-1H-quinoline-4-thione has a molecular weight of 254.15 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methyl-1H-quinoline-4-thione is sourced from PubChem (CID 43840357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).