7-bromo-4-methyl-4aH-quinoline-2-thione

C10H8BrNS — CID 78204873

IUPAC7-bromo-4-methyl-4aH-quinoline-2-thione
SMILESCC1=CC(=S)N=C2C=C(Br)C=CC12
InChIInChI=1S/C10H8BrNS/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5,8H,1H3
InChIKeyUCTVBALBWOXAAB-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.18
Rot. Bonds

About 7-bromo-4-methyl-4aH-quinoline-2-thione

7-bromo-4-methyl-4aH-quinoline-2-thione (PubChem CID 78204873) has the molecular formula C10H8BrNS and a molecular weight of 254.15 g/mol. Its IUPAC name is 7-bromo-4-methyl-4aH-quinoline-2-thione.

Molecular Properties

Compound Name7-bromo-4-methyl-4aH-quinoline-2-thione
PubChem CID78204873
Molecular FormulaC10H8BrNS
Molecular Weight254.15 g/mol
Exact Mass252.96
IUPAC Name7-bromo-4-methyl-4aH-quinoline-2-thione
SMILESCC1=CC(=S)N=C2C=C(Br)C=CC12
InChIInChI=1S/C10H8BrNS/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5,8H,1H3
InChIKeyUCTVBALBWOXAAB-UHFFFAOYSA-N
XLogP3.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-4aH-quinazolin-4-one
CID 71304026
5-methylbicyclo[2.1.0]penta-1(5),2-diene
CID 86017292
7-bromo-3-(trifluoromethyl)-4aH-quinolin-2-one
CID 178188561
7-bromo-2,5-dimethyl-4aH-1,5-naphthyridine
CID 144666416
6-bromo-2-methyl-1,8a-dihydroquinoline
CID 145491535
7-bromo-4aH-1,5-naphthyridin-2-one
CID 76619277
6-bromo-3-methyl-8aH-imidazo[1,5-a]pyridin-1-one
CID 156627275
6-fluoro-2-methyl-4aH-quinolin-4-one
CID 71650445
6-bromo-2-sulfanylidene-4aH-quinazolin-4-one
CID 138059210
5-bromo-2-methylpyrimidine
CID 14387744
4-bromo-4aH-quinolin-2-one
CID 71303285
7-methoxy-1-methyl-4,4b-dihydro-3H-pyrido[3,4-b]indole
CID 24871290

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-4aH-quinoline-2-thione?
The IUPAC name of 7-bromo-4-methyl-4aH-quinoline-2-thione (CID 78204873) is 7-bromo-4-methyl-4aH-quinoline-2-thione.
What is the SMILES notation for 7-bromo-4-methyl-4aH-quinoline-2-thione?
The canonical SMILES for 7-bromo-4-methyl-4aH-quinoline-2-thione is CC1=CC(=S)N=C2C=C(Br)C=CC12.
What is the InChIKey of 7-bromo-4-methyl-4aH-quinoline-2-thione?
The InChIKey is UCTVBALBWOXAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS/c1-6-4-10(13)12-9-5-7(11)2-3-8(6)9/h2-5,8H,1H3.
What are the key properties of 7-bromo-4-methyl-4aH-quinoline-2-thione?
7-bromo-4-methyl-4aH-quinoline-2-thione has a molecular weight of 254.15 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-4aH-quinoline-2-thione is sourced from PubChem (CID 78204873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).