(8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate

C12H11ClN2S2 — CID 86035778

IUPAC(8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1cnc2c(Cl)cccc2c1
InChIInChI=1S/C12H11ClN2S2/c1-15(2)12(16)17-9-6-8-4-3-5-10(13)11(8)14-7-9/h3-7H,1-2H3
InChIKeyGIIJPDBNRXMJNJ-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.83
Rot. Bonds1

About (8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate

(8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate (PubChem CID 86035778) has the molecular formula C12H11ClN2S2 and a molecular weight of 282.82 g/mol. Its IUPAC name is (8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name(8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate
PubChem CID86035778
Molecular FormulaC12H11ClN2S2
Molecular Weight282.82 g/mol
Exact Mass282.01
IUPAC Name(8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)Sc1cnc2c(Cl)cccc2c1
InChIInChI=1S/C12H11ClN2S2/c1-15(2)12(16)17-9-6-8-4-3-5-10(13)11(8)14-7-9/h3-7H,1-2H3
InChIKeyGIIJPDBNRXMJNJ-UHFFFAOYSA-N
XLogP3.83
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.83
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

8-chloro-3-iodoquinoline
CID 53438635
8-chloro-3-methoxyquinoline
CID 11074271
3-bromo-8-chloroquinoline;tetramethylazanium
CID 67706558
8-chloroquinoline;ethane
CID 142246255
methyl 2-[(8-chloroquinoline-3-carbonyl)amino]acetate
CID 110490110
N,N-dimethyl-1-(3-phenylsulfanylquinolin-8-yl)azetidin-3-amine
CID 143138905
N-(8-chloroquinolin-3-yl)-N-sulfamoylbenzenesulfonamide
CID 174442794
8-chloro-N,N-dimethylquinolin-2-amine
CID 21073940
8-chloro-4-methylquinoline-2-carbothioamide
CID 82574215
2,8-dichloro-3-propylquinoline
CID 63531217
2-(3-amino-8-chloroquinolin-2-yl)propan-2-ol
CID 126623878
2-(8-chloro-2-methylquinolin-3-yl)acetic acid
CID 164563362

Frequently Asked Questions

What is the IUPAC name of (8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate?
The IUPAC name of (8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate (CID 86035778) is (8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate.
What is the SMILES notation for (8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate?
The canonical SMILES for (8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate is CN(C)C(=S)Sc1cnc2c(Cl)cccc2c1.
What is the InChIKey of (8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate?
The InChIKey is GIIJPDBNRXMJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2S2/c1-15(2)12(16)17-9-6-8-4-3-5-10(13)11(8)14-7-9/h3-7H,1-2H3.
What are the key properties of (8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate?
(8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate has a molecular weight of 282.82 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-chloroquinolin-3-yl) N,N-dimethylcarbamodithioate is sourced from PubChem (CID 86035778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).