dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide

C8H5F3Li2S — CID 134857860

IUPACdilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide
SMILES[CH2-]Sc1ccc[c-]c1C(F)(F)F.[Li+].[Li+]
InChIInChI=1S/C8H5F3S.2Li/c1-12-7-5-3-2-4-6(7)8(9,10)11;;/h2-3,5H,1H2;;/q-2;2*+1
InChIKeyMOALZZAGRBFWQG-UHFFFAOYSA-N
MW204.07 g/mol
LogP-2.60
Rot. Bonds1

About dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide

dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide (PubChem CID 134857860) has the molecular formula C8H5F3Li2S and a molecular weight of 204.07 g/mol. Its IUPAC name is dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide.

Molecular Properties

Compound Namedilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide
PubChem CID134857860
Molecular FormulaC8H5F3Li2S
Molecular Weight204.07 g/mol
Exact Mass204.04
IUPAC Namedilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide
SMILES[CH2-]Sc1ccc[c-]c1C(F)(F)F.[Li+].[Li+]
InChIInChI=1S/C8H5F3S.2Li/c1-12-7-5-3-2-4-6(7)8(9,10)11;;/h2-3,5H,1H2;;/q-2;2*+1
InChIKeyMOALZZAGRBFWQG-UHFFFAOYSA-N
XLogP-2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 5-2.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

7,7-Difluoro-6-methylidene-5-methylsulfanylocta-1,4-diene
CID 123169330
(3E,4Z)-3-ethylidene-7,7,7-trifluoro-2-methylsulfanylhepta-1,4-diene
CID 134569800
6-Methyl-6-methylsulfanyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 173055847
1-(Difluoromethylsulfanyl)cyclohexa-1,2,4-triene
CID 162540588
5-Methylsulfanyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 162596548

Frequently Asked Questions

What is the IUPAC name of dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide?
The IUPAC name of dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide (CID 134857860) is dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide.
What is the SMILES notation for dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide?
The canonical SMILES for dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide is [CH2-]Sc1ccc[c-]c1C(F)(F)F.[Li+].[Li+].
What is the InChIKey of dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide?
The InChIKey is MOALZZAGRBFWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3S.2Li/c1-12-7-5-3-2-4-6(7)8(9,10)11;;/h2-3,5H,1H2;;/q-2;2*+1.
What are the key properties of dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide?
dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide has a molecular weight of 204.07 g/mol, XLogP of -2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-methanidylsulfanyl-2-(trifluoromethyl)benzene-3-ide is sourced from PubChem (CID 134857860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).