lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide

C6Br3LiS2 — CID 135081173

IUPAClithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide
SMILESBrc1[c-]c2sc(Br)c(Br)c2s1.[Li+]
InChIInChI=1S/C6Br3S2.Li/c7-3-1-2-5(11-3)4(8)6(9)10-2;/q-1;+1
InChIKeyMTRZFLTWELLTOE-UHFFFAOYSA-N
MW382.85 g/mol
LogP2.05
Rot. Bonds

About lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide

lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide (PubChem CID 135081173) has the molecular formula C6Br3LiS2 and a molecular weight of 382.85 g/mol. Its IUPAC name is lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide.

Molecular Properties

Compound Namelithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide
PubChem CID135081173
Molecular FormulaC6Br3LiS2
Molecular Weight382.85 g/mol
Exact Mass379.72
IUPAC Namelithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide
SMILESBrc1[c-]c2sc(Br)c(Br)c2s1.[Li+]
InChIInChI=1S/C6Br3S2.Li/c7-3-1-2-5(11-3)4(8)6(9)10-2;/q-1;+1
InChIKeyMTRZFLTWELLTOE-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 52.05
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 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide?
The IUPAC name of lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide (CID 135081173) is lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide.
What is the SMILES notation for lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide?
The canonical SMILES for lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide is Brc1[c-]c2sc(Br)c(Br)c2s1.[Li+].
What is the InChIKey of lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide?
The InChIKey is MTRZFLTWELLTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br3S2.Li/c7-3-1-2-5(11-3)4(8)6(9)10-2;/q-1;+1.
What are the key properties of lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide?
lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide has a molecular weight of 382.85 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,5,6-tribromo-3H-thieno[3,2-b]thiophen-3-ide is sourced from PubChem (CID 135081173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).