potassium;azanide;1-methyl-4-methylsulfanylbenzene

C8H12KNS — CID 164525020

IUPACpotassium;azanide;1-methyl-4-methylsulfanylbenzene
SMILESCSc1ccc(C)cc1.[K+].[NH2-]
InChIInChI=1S/C8H10S.K.H2N/c1-7-3-5-8(9-2)6-4-7;;/h3-6H,1-2H3;;1H2/q;+1;-1
InChIKeySXNDXEDLUBATKL-UHFFFAOYSA-N
MW193.36 g/mol
LogP0.44
Rot. Bonds1

About potassium;azanide;1-methyl-4-methylsulfanylbenzene

potassium;azanide;1-methyl-4-methylsulfanylbenzene (PubChem CID 164525020) has the molecular formula C8H12KNS and a molecular weight of 193.36 g/mol. Its IUPAC name is potassium;azanide;1-methyl-4-methylsulfanylbenzene.

Molecular Properties

Compound Namepotassium;azanide;1-methyl-4-methylsulfanylbenzene
PubChem CID164525020
Molecular FormulaC8H12KNS
Molecular Weight193.36 g/mol
Exact Mass193.03
IUPAC Namepotassium;azanide;1-methyl-4-methylsulfanylbenzene
SMILESCSc1ccc(C)cc1.[K+].[NH2-]
InChIInChI=1S/C8H10S.K.H2N/c1-7-3-5-8(9-2)6-4-7;;/h3-6H,1-2H3;;1H2/q;+1;-1
InChIKeySXNDXEDLUBATKL-UHFFFAOYSA-N
XLogP0.44
TPSA33.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.36
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium;azanide;1-methyl-4-methylsulfanylbenzene?
The IUPAC name of potassium;azanide;1-methyl-4-methylsulfanylbenzene (CID 164525020) is potassium;azanide;1-methyl-4-methylsulfanylbenzene.
What is the SMILES notation for potassium;azanide;1-methyl-4-methylsulfanylbenzene?
The canonical SMILES for potassium;azanide;1-methyl-4-methylsulfanylbenzene is CSc1ccc(C)cc1.[K+].[NH2-].
What is the InChIKey of potassium;azanide;1-methyl-4-methylsulfanylbenzene?
The InChIKey is SXNDXEDLUBATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.K.H2N/c1-7-3-5-8(9-2)6-4-7;;/h3-6H,1-2H3;;1H2/q;+1;-1.
What are the key properties of potassium;azanide;1-methyl-4-methylsulfanylbenzene?
potassium;azanide;1-methyl-4-methylsulfanylbenzene has a molecular weight of 193.36 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azanide;1-methyl-4-methylsulfanylbenzene is sourced from PubChem (CID 164525020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).