lithium 3-phenylsulfanyl-2H-pyrazin-2-ide

C10H7LiN2S — CID 134891694

IUPAClithium 3-phenylsulfanyl-2H-pyrazin-2-ide
SMILES[Li+].[c-]1nccnc1Sc1ccccc1
InChIInChI=1S/C10H7N2S.Li/c1-2-4-9(5-3-1)13-10-8-11-6-7-12-10;/h1-7H;/q-1;+1
InChIKeyYYOQWJVOQNWRTM-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.57
Rot. Bonds2

About lithium 3-phenylsulfanyl-2H-pyrazin-2-ide

lithium 3-phenylsulfanyl-2H-pyrazin-2-ide (PubChem CID 134891694) has the molecular formula C10H7LiN2S and a molecular weight of 194.19 g/mol. Its IUPAC name is lithium 3-phenylsulfanyl-2H-pyrazin-2-ide.

Molecular Properties

Compound Namelithium 3-phenylsulfanyl-2H-pyrazin-2-ide
PubChem CID134891694
Molecular FormulaC10H7LiN2S
Molecular Weight194.19 g/mol
Exact Mass194.05
IUPAC Namelithium 3-phenylsulfanyl-2H-pyrazin-2-ide
SMILES[Li+].[c-]1nccnc1Sc1ccccc1
InChIInChI=1S/C10H7N2S.Li/c1-2-4-9(5-3-1)13-10-8-11-6-7-12-10;/h1-7H;/q-1;+1
InChIKeyYYOQWJVOQNWRTM-UHFFFAOYSA-N
XLogP-0.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenylthio-2H-imidazol
CID 129648599
2-phenylsulfanyl-5H-1,3-thiazol-5-ide;zinc
CID 134833636
2-phenylsulfanyl-3H-azepine
CID 134989570
phenyl N-methylethanimidothioate
CID 15707425
2-(Benzenesulfinyl)-3,4-dihydropyridine
CID 57054662
1-nitro-3-phenylsulfanyl-2H-pyrazine
CID 67712064
7-phenylsulfanyl-3,4-dihydro-2H-azepin-6-amine
CID 135218682
1,1-Diphenyl-1,3-thiazole
CID 141012227
ethane;phenyl N-methylethanimidothioate
CID 145529037
phenyl N-methylpropanimidothioate
CID 156301073
1-Phenyl-1,3-thiazol-1-ium
CID 172831782
1-methyl-4-phenylsulfanyl-2H-pyridine
CID 53446740

Frequently Asked Questions

What is the IUPAC name of lithium 3-phenylsulfanyl-2H-pyrazin-2-ide?
The IUPAC name of lithium 3-phenylsulfanyl-2H-pyrazin-2-ide (CID 134891694) is lithium 3-phenylsulfanyl-2H-pyrazin-2-ide.
What is the SMILES notation for lithium 3-phenylsulfanyl-2H-pyrazin-2-ide?
The canonical SMILES for lithium 3-phenylsulfanyl-2H-pyrazin-2-ide is [Li+].[c-]1nccnc1Sc1ccccc1.
What is the InChIKey of lithium 3-phenylsulfanyl-2H-pyrazin-2-ide?
The InChIKey is YYOQWJVOQNWRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N2S.Li/c1-2-4-9(5-3-1)13-10-8-11-6-7-12-10;/h1-7H;/q-1;+1.
What are the key properties of lithium 3-phenylsulfanyl-2H-pyrazin-2-ide?
lithium 3-phenylsulfanyl-2H-pyrazin-2-ide has a molecular weight of 194.19 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-phenylsulfanyl-2H-pyrazin-2-ide is sourced from PubChem (CID 134891694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).