8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide

C11H8FIN2S — CID 82574252

IUPAC8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide
SMILESCc1cc(C(N)=S)nc2c(F)cc(I)cc12
InChIInChI=1S/C11H8FIN2S/c1-5-2-9(11(14)16)15-10-7(5)3-6(13)4-8(10)12/h2-4H,1H3,(H2,14,16)
InChIKeyWFYTXSHVLOQQCL-UHFFFAOYSA-N
MW346.17 g/mol
LogP2.92
Rot. Bonds1

About 8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide

8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide (PubChem CID 82574252) has the molecular formula C11H8FIN2S and a molecular weight of 346.17 g/mol. Its IUPAC name is 8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide.

Molecular Properties

Compound Name8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide
PubChem CID82574252
Molecular FormulaC11H8FIN2S
Molecular Weight346.17 g/mol
Exact Mass345.94
IUPAC Name8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide
SMILESCc1cc(C(N)=S)nc2c(F)cc(I)cc12
InChIInChI=1S/C11H8FIN2S/c1-5-2-9(11(14)16)15-10-7(5)3-6(13)4-8(10)12/h2-4H,1H3,(H2,14,16)
InChIKeyWFYTXSHVLOQQCL-UHFFFAOYSA-N
XLogP2.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide?
The IUPAC name of 8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide (CID 82574252) is 8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide.
What is the SMILES notation for 8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide?
The canonical SMILES for 8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide is Cc1cc(C(N)=S)nc2c(F)cc(I)cc12.
What is the InChIKey of 8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide?
The InChIKey is WFYTXSHVLOQQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2S/c1-5-2-9(11(14)16)15-10-7(5)3-6(13)4-8(10)12/h2-4H,1H3,(H2,14,16).
What are the key properties of 8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide?
8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide has a molecular weight of 346.17 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide is sourced from PubChem (CID 82574252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).