8-chloro-4-methylquinoline-2-carbothioamide

C11H9ClN2S — CID 82574215

IUPAC8-chloro-4-methylquinoline-2-carbothioamide
SMILESCc1cc(C(N)=S)nc2c(Cl)cccc12
InChIInChI=1S/C11H9ClN2S/c1-6-5-9(11(13)15)14-10-7(6)3-2-4-8(10)12/h2-5H,1H3,(H2,13,15)
InChIKeyCFFAYNWGBAJXKC-UHFFFAOYSA-N
MW236.73 g/mol
LogP2.83
Rot. Bonds1

About 8-chloro-4-methylquinoline-2-carbothioamide

8-chloro-4-methylquinoline-2-carbothioamide (PubChem CID 82574215) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 8-chloro-4-methylquinoline-2-carbothioamide.

Molecular Properties

Compound Name8-chloro-4-methylquinoline-2-carbothioamide
PubChem CID82574215
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name8-chloro-4-methylquinoline-2-carbothioamide
SMILESCc1cc(C(N)=S)nc2c(Cl)cccc12
InChIInChI=1S/C11H9ClN2S/c1-6-5-9(11(13)15)14-10-7(6)3-2-4-8(10)12/h2-5H,1H3,(H2,13,15)
InChIKeyCFFAYNWGBAJXKC-UHFFFAOYSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 52.83
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

8-fluoro-4-methylquinoline-2-carbothioamide
CID 82574203
2-(8-chloro-4-methylquinolin-2-yl)ethanamine
CID 82575547
2-bromo-8-chloro-4-methylquinoline
CID 82580985
2-carbamoyl-8-chloroquinoline-4-carboxylic acid
CID 118172273
8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide
CID 82574252
5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide
CID 82451215
6,8-dimethoxy-4-methylquinoline-2-carbothioamide
CID 82574234
2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine
CID 84627983
8-tert-butyl-4-methylquinoline-2-carboxamide
CID 82574016
2-(8-chloro-2-methylquinolin-4-yl)acetamide
CID 82575392
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
1-(8-chloro-2-methylquinolin-4-yl)ethanol
CID 82576032

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methylquinoline-2-carbothioamide?
The IUPAC name of 8-chloro-4-methylquinoline-2-carbothioamide (CID 82574215) is 8-chloro-4-methylquinoline-2-carbothioamide.
What is the SMILES notation for 8-chloro-4-methylquinoline-2-carbothioamide?
The canonical SMILES for 8-chloro-4-methylquinoline-2-carbothioamide is Cc1cc(C(N)=S)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-4-methylquinoline-2-carbothioamide?
The InChIKey is CFFAYNWGBAJXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c1-6-5-9(11(13)15)14-10-7(6)3-2-4-8(10)12/h2-5H,1H3,(H2,13,15).
What are the key properties of 8-chloro-4-methylquinoline-2-carbothioamide?
8-chloro-4-methylquinoline-2-carbothioamide has a molecular weight of 236.73 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methylquinoline-2-carbothioamide is sourced from PubChem (CID 82574215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).