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

C18H27LiS2 — CID 135070566

IUPAClithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide
SMILESCCCCCCc1[c-]sc2c(CCCCCC)csc12.[Li+]
InChIInChI=1S/C18H27S2.Li/c1-3-5-7-9-11-15-13-19-18-16(14-20-17(15)18)12-10-8-6-4-2;/h13H,3-12H2,1-2H3;/q-1;+1
InChIKeyGLFFLOUUXZKVKR-UHFFFAOYSA-N
MW314.49 g/mol
LogP4.01
Rot. Bonds10

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

lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide (PubChem CID 135070566) has the molecular formula C18H27LiS2 and a molecular weight of 314.49 g/mol. Its IUPAC name is lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide.

Molecular Properties

Compound Namelithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide
PubChem CID135070566
Molecular FormulaC18H27LiS2
Molecular Weight314.49 g/mol
Exact Mass314.17
IUPAC Namelithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide
SMILESCCCCCCc1[c-]sc2c(CCCCCC)csc12.[Li+]
InChIInChI=1S/C18H27S2.Li/c1-3-5-7-9-11-15-13-19-18-16(14-20-17(15)18)12-10-8-6-4-2;/h13H,3-12H2,1-2H3;/q-1;+1
InChIKeyGLFFLOUUXZKVKR-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide?
The IUPAC name of lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide (CID 135070566) is lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide.
What is the SMILES notation for lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide?
The canonical SMILES for lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide is CCCCCCc1[c-]sc2c(CCCCCC)csc12.[Li+].
What is the InChIKey of lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide?
The InChIKey is GLFFLOUUXZKVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27S2.Li/c1-3-5-7-9-11-15-13-19-18-16(14-20-17(15)18)12-10-8-6-4-2;/h13H,3-12H2,1-2H3;/q-1;+1.
What are the key properties of lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide?
lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide has a molecular weight of 314.49 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,6-dihexyl-5H-thieno[3,2-b]thiophen-5-ide is sourced from PubChem (CID 135070566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).