potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride

C18H16ClF2KN2S2 — CID 162160493

IUPACpotassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride
SMILESCc1cc2c(C)nsc2cc1Cl.Cc1cc2c(C)nsc2cc1F.[F-].[K+]
InChIInChI=1S/C9H8ClNS.C9H8FNS.FH.K/c2*1-5-3-7-6(2)11-12-9(7)4-8(5)10;;/h2*3-4H,1-2H3;1H;/q;;;+1/p-1
InChIKeyZMKHMWBIMCIYIL-UHFFFAOYSA-M
MW437.02 g/mol
LogP0.63
Rot. Bonds

About potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride

potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride (PubChem CID 162160493) has the molecular formula C18H16ClF2KN2S2 and a molecular weight of 437.02 g/mol. Its IUPAC name is potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride.

Molecular Properties

Compound Namepotassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride
PubChem CID162160493
Molecular FormulaC18H16ClF2KN2S2
Molecular Weight437.02 g/mol
Exact Mass436.00
IUPAC Namepotassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride
SMILESCc1cc2c(C)nsc2cc1Cl.Cc1cc2c(C)nsc2cc1F.[F-].[K+]
InChIInChI=1S/C9H8ClNS.C9H8FNS.FH.K/c2*1-5-3-7-6(2)11-12-9(7)4-8(5)10;;/h2*3-4H,1-2H3;1H;/q;;;+1/p-1
InChIKeyZMKHMWBIMCIYIL-UHFFFAOYSA-M
XLogP0.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.02
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride with MolForge

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Related Compounds

potassium;6-chloro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole;6-fluoro-3-(2-methoxy-5-methylphenyl)-5-methyl-1,2-benzothiazole;fluoride
CID 159291183
6-chloro-3,5-dimethyl-1,2-benzothiazole;dichlorocopper;3,5-dimethyl-1,2-benzothiazol-6-amine
CID 159515450
acetic acid;6-fluoro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3-methyl-1,2-benzothiazol-5-amine;iron
CID 159283598
6-chloro-5-methyl-1,2-benzothiazol-3-amine
CID 58841117
3-chloro-5,6-difluoro-1,2-benzothiazole
CID 165472697
3,5-dimethyl-1,2-benzothiazole
CID 14145205
6-fluoro-3,5-dimethyl-1-benzothiophene
CID 89233564
(5-chloro-2-fluoro-4-methylphenyl)-trimethylsilane
CID 131066790
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
4-bromo-3-chloro-7-fluoro-6-methylquinoline
CID 114764153
2-chloro-5-fluoro-4-methylbenzenethiol
CID 91874485
6-chloro-3,5-dimethyl-2H-indazole
CID 89021116

Frequently Asked Questions

What is the IUPAC name of potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride?
The IUPAC name of potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride (CID 162160493) is potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride.
What is the SMILES notation for potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride?
The canonical SMILES for potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride is Cc1cc2c(C)nsc2cc1Cl.Cc1cc2c(C)nsc2cc1F.[F-].[K+].
What is the InChIKey of potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride?
The InChIKey is ZMKHMWBIMCIYIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8ClNS.C9H8FNS.FH.K/c2*1-5-3-7-6(2)11-12-9(7)4-8(5)10;;/h2*3-4H,1-2H3;1H;/q;;;+1/p-1.
What are the key properties of potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride?
potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride has a molecular weight of 437.02 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-chloro-3,5-dimethyl-1,2-benzothiazole;6-fluoro-3,5-dimethyl-1,2-benzothiazole;fluoride is sourced from PubChem (CID 162160493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).