lithium 7H-thieno[3,2-b]pyridin-7-ide

C7H4LiNS — CID 88663699

IUPAClithium 7H-thieno[3,2-b]pyridin-7-ide
SMILES[Li+].[c-]1ccnc2ccsc12
InChIInChI=1S/C7H4NS.Li/c1-2-7-6(8-4-1)3-5-9-7;/h1,3-5H;/q-1;+1
InChIKeyLHHDTAXTOOCJBJ-UHFFFAOYSA-N
MW141.12 g/mol
LogP-0.90
Rot. Bonds

About lithium 7H-thieno[3,2-b]pyridin-7-ide

lithium 7H-thieno[3,2-b]pyridin-7-ide (PubChem CID 88663699) has the molecular formula C7H4LiNS and a molecular weight of 141.12 g/mol. Its IUPAC name is lithium 7H-thieno[3,2-b]pyridin-7-ide.

Molecular Properties

Compound Namelithium 7H-thieno[3,2-b]pyridin-7-ide
PubChem CID88663699
Molecular FormulaC7H4LiNS
Molecular Weight141.12 g/mol
Exact Mass141.02
IUPAC Namelithium 7H-thieno[3,2-b]pyridin-7-ide
SMILES[Li+].[c-]1ccnc2ccsc12
InChIInChI=1S/C7H4NS.Li/c1-2-7-6(8-4-1)3-5-9-7;/h1,3-5H;/q-1;+1
InChIKeyLHHDTAXTOOCJBJ-UHFFFAOYSA-N
XLogP-0.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.12
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 7H-thieno[3,2-b]pyridin-7-ide?
The IUPAC name of lithium 7H-thieno[3,2-b]pyridin-7-ide (CID 88663699) is lithium 7H-thieno[3,2-b]pyridin-7-ide.
What is the SMILES notation for lithium 7H-thieno[3,2-b]pyridin-7-ide?
The canonical SMILES for lithium 7H-thieno[3,2-b]pyridin-7-ide is [Li+].[c-]1ccnc2ccsc12.
What is the InChIKey of lithium 7H-thieno[3,2-b]pyridin-7-ide?
The InChIKey is LHHDTAXTOOCJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4NS.Li/c1-2-7-6(8-4-1)3-5-9-7;/h1,3-5H;/q-1;+1.
What are the key properties of lithium 7H-thieno[3,2-b]pyridin-7-ide?
lithium 7H-thieno[3,2-b]pyridin-7-ide has a molecular weight of 141.12 g/mol, XLogP of -0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7H-thieno[3,2-b]pyridin-7-ide is sourced from PubChem (CID 88663699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).