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

C15H21LiS2 — CID 135070565

IUPAClithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide
SMILESCCCCCCCCCc1csc2c[c-]sc12.[Li+]
InChIInChI=1S/C15H21S2.Li/c1-2-3-4-5-6-7-8-9-13-12-17-14-10-11-16-15(13)14;/h10,12H,2-9H2,1H3;/q-1;+1
InChIKeyMSHJHKKDLVUOPX-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.06
Rot. Bonds8

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

lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide (PubChem CID 135070565) has the molecular formula C15H21LiS2 and a molecular weight of 272.41 g/mol. Its IUPAC name is lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide.

Molecular Properties

Compound Namelithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide
PubChem CID135070565
Molecular FormulaC15H21LiS2
Molecular Weight272.41 g/mol
Exact Mass272.12
IUPAC Namelithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide
SMILESCCCCCCCCCc1csc2c[c-]sc12.[Li+]
InChIInChI=1S/C15H21S2.Li/c1-2-3-4-5-6-7-8-9-13-12-17-14-10-11-16-15(13)14;/h10,12H,2-9H2,1H3;/q-1;+1
InChIKeyMSHJHKKDLVUOPX-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.06
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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Related Compounds

3-Methyl-4-phenylthiophene
CID 11993868
3,3'-Dimethyl-2,2'-bithiophenyl
CID 642334
2,4-Di-tert-butylthiophene
CID 602490
3,4'-Dihexyl-2,2'-bithiophene
CID 11348225
3,3'-Dihexyl-2,2'-bithiophene
CID 11484438
Butenylbithiophene
CID 54346500
Thiophene, 2,4-diisopropyl
CID 6429944
3,4-Dibutylthiophene
CID 11298534
2-Methyl-4-(5-methylthiophen-3-yl)thiophene
CID 901476
3-Methyl-2-(3,7,11-trimethyldodecyl)thiophene
CID 574083
4-Methyl-2-(3,7,11-Trimethyldodecyl) thiophene
CID 85528944
5-Butyl-2,3-dimethylthiophene
CID 528235

Frequently Asked Questions

What is the IUPAC name of lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide?
The IUPAC name of lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide (CID 135070565) is lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide.
What is the SMILES notation for lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide?
The canonical SMILES for lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide is CCCCCCCCCc1csc2c[c-]sc12.[Li+].
What is the InChIKey of lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide?
The InChIKey is MSHJHKKDLVUOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21S2.Li/c1-2-3-4-5-6-7-8-9-13-12-17-14-10-11-16-15(13)14;/h10,12H,2-9H2,1H3;/q-1;+1.
What are the key properties of lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide?
lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide has a molecular weight of 272.41 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-nonyl-5H-thieno[3,2-b]thiophen-5-ide is sourced from PubChem (CID 135070565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).