methyl quinoline-2-carbodithioate

C11H9NS2 — CID 71374861

IUPACmethyl quinoline-2-carbodithioate
SMILESCSC(=S)c1ccc2ccccc2n1
InChIInChI=1S/C11H9NS2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3
InChIKeyNXTOBKKLTGUPTB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.27
Rot. Bonds1

About methyl quinoline-2-carbodithioate

methyl quinoline-2-carbodithioate (PubChem CID 71374861) has the molecular formula C11H9NS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is methyl quinoline-2-carbodithioate.

Molecular Properties

Compound Namemethyl quinoline-2-carbodithioate
PubChem CID71374861
Molecular FormulaC11H9NS2
Molecular Weight219.33 g/mol
Exact Mass219.02
IUPAC Namemethyl quinoline-2-carbodithioate
SMILESCSC(=S)c1ccc2ccccc2n1
InChIInChI=1S/C11H9NS2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3
InChIKeyNXTOBKKLTGUPTB-UHFFFAOYSA-N
XLogP3.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper;quinoline-2-carboxylic acid
CID 68537473
europium;quinoline-2-carboxylic acid
CID 87730482
2-methylquinoline;quinoline-2-carboxamide
CID 174829911
copper(1+);quinoline-2-carboxylate
CID 159046158
chromium(3+);tris(quinoline-2-carboxylate)
CID 86616048
potassium;hydride;quinoline-2-carboxylic acid
CID 174828478
iridium(3+);tris(quinoline-2-carboxylate)
CID 161052613
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
quinoline-2-carboxamide;hydrobromide
CID 141009871
[dimethyl(quinoline-2-carbonyloxy)stannyl] quinoline-2-carboxylate
CID 139238801
3-methyl-1-quinolin-2-ylbut-2-en-1-one
CID 79190810
1-quinolin-2-ylbutan-1-one
CID 14895778

Frequently Asked Questions

What is the IUPAC name of methyl quinoline-2-carbodithioate?
The IUPAC name of methyl quinoline-2-carbodithioate (CID 71374861) is methyl quinoline-2-carbodithioate.
What is the SMILES notation for methyl quinoline-2-carbodithioate?
The canonical SMILES for methyl quinoline-2-carbodithioate is CSC(=S)c1ccc2ccccc2n1.
What is the InChIKey of methyl quinoline-2-carbodithioate?
The InChIKey is NXTOBKKLTGUPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3.
What are the key properties of methyl quinoline-2-carbodithioate?
methyl quinoline-2-carbodithioate has a molecular weight of 219.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl quinoline-2-carbodithioate is sourced from PubChem (CID 71374861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).