7-chloro-6-methoxy-1H-quinoline-2-thione

C10H8ClNOS — CID 83643182

IUPAC7-chloro-6-methoxy-1H-quinoline-2-thione
SMILESCOc1cc2ccc(=S)[nH]c2cc1Cl
InChIInChI=1S/C10H8ClNOS/c1-13-9-4-6-2-3-10(14)12-8(6)5-7(9)11/h2-5H,1H3,(H,12,14)
InChIKeySSBXXSSNGSMJJF-UHFFFAOYSA-N
MW225.70 g/mol
LogP3.56
Rot. Bonds1

About 7-chloro-6-methoxy-1H-quinoline-2-thione

7-chloro-6-methoxy-1H-quinoline-2-thione (PubChem CID 83643182) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 7-chloro-6-methoxy-1H-quinoline-2-thione.

Molecular Properties

Compound Name7-chloro-6-methoxy-1H-quinoline-2-thione
PubChem CID83643182
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name7-chloro-6-methoxy-1H-quinoline-2-thione
SMILESCOc1cc2ccc(=S)[nH]c2cc1Cl
InChIInChI=1S/C10H8ClNOS/c1-13-9-4-6-2-3-10(14)12-8(6)5-7(9)11/h2-5H,1H3,(H,12,14)
InChIKeySSBXXSSNGSMJJF-UHFFFAOYSA-N
XLogP3.56
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride
CID 172686181
carbon dioxide;5-chloro-6-methoxy-2-methyl-1H-indole
CID 161417002
3-chloro-6-ethyl-2-methoxynaphthalene
CID 162345335
1-(6-chloro-5-methoxy-3-methyl-1H-indol-2-yl)ethanamine
CID 84629248
3-chloro-2-methoxy-6-methyl-9H-carbazole
CID 155477341
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
CID 154597526
CID 154597526
1-(5-chloro-2,4-dimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79272608
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide
CID 110415543
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]cyclohexanecarboxamide
CID 110415534
1-chloro-2-methoxy-4-methylbenzene;2-chloro-5-methylphenol
CID 68820017

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-1H-quinoline-2-thione?
The IUPAC name of 7-chloro-6-methoxy-1H-quinoline-2-thione (CID 83643182) is 7-chloro-6-methoxy-1H-quinoline-2-thione.
What is the SMILES notation for 7-chloro-6-methoxy-1H-quinoline-2-thione?
The canonical SMILES for 7-chloro-6-methoxy-1H-quinoline-2-thione is COc1cc2ccc(=S)[nH]c2cc1Cl.
What is the InChIKey of 7-chloro-6-methoxy-1H-quinoline-2-thione?
The InChIKey is SSBXXSSNGSMJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c1-13-9-4-6-2-3-10(14)12-8(6)5-7(9)11/h2-5H,1H3,(H,12,14).
What are the key properties of 7-chloro-6-methoxy-1H-quinoline-2-thione?
7-chloro-6-methoxy-1H-quinoline-2-thione has a molecular weight of 225.70 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-1H-quinoline-2-thione is sourced from PubChem (CID 83643182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).