lithium 2-prop-2-enylthiophene

C7H7LiS — CID 88793695

IUPAClithium 2-prop-2-enylthiophene
SMILESC=[C-]Cc1cccs1.[Li+]
InChIInChI=1S/C7H7S.Li/c1-2-4-7-5-3-6-8-7;/h3,5-6H,1,4H2;/q-1;+1
InChIKeyFDPSPDZNLQGNDC-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.72
Rot. Bonds2

About lithium 2-prop-2-enylthiophene

lithium 2-prop-2-enylthiophene (PubChem CID 88793695) has the molecular formula C7H7LiS and a molecular weight of 130.14 g/mol. Its IUPAC name is lithium 2-prop-2-enylthiophene.

Molecular Properties

Compound Namelithium 2-prop-2-enylthiophene
PubChem CID88793695
Molecular FormulaC7H7LiS
Molecular Weight130.14 g/mol
Exact Mass130.04
IUPAC Namelithium 2-prop-2-enylthiophene
SMILESC=[C-]Cc1cccs1.[Li+]
InChIInChI=1S/C7H7S.Li/c1-2-4-7-5-3-6-8-7;/h3,5-6H,1,4H2;/q-1;+1
InChIKeyFDPSPDZNLQGNDC-UHFFFAOYSA-N
XLogP-0.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)thiophene
CID 11829978
2-(4-thiophen-2-ylbut-2-ynyl)thiophene
CID 102075129
thiophen-2-ylmethylphosphane;hydroiodide
CID 174619498
pentane;2-thiophen-2-ylethanol
CID 70273807
CID 59269201
CID 59269201
2-(ethenylsulfanylmethyl)thiophene
CID 19076101
2-(methylsulfanylmethyl)thiophene
CID 12872111
2-(methoxymethyl)thiophene
CID 10240820
2-[2-(4-methylphenyl)ethyl]thiophene
CID 10488340
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
3-thiophen-2-ylpropan-1-ol
CID 13109866
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683

Frequently Asked Questions

What is the IUPAC name of lithium 2-prop-2-enylthiophene?
The IUPAC name of lithium 2-prop-2-enylthiophene (CID 88793695) is lithium 2-prop-2-enylthiophene.
What is the SMILES notation for lithium 2-prop-2-enylthiophene?
The canonical SMILES for lithium 2-prop-2-enylthiophene is C=[C-]Cc1cccs1.[Li+].
What is the InChIKey of lithium 2-prop-2-enylthiophene?
The InChIKey is FDPSPDZNLQGNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7S.Li/c1-2-4-7-5-3-6-8-7;/h3,5-6H,1,4H2;/q-1;+1.
What are the key properties of lithium 2-prop-2-enylthiophene?
lithium 2-prop-2-enylthiophene has a molecular weight of 130.14 g/mol, XLogP of -0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-prop-2-enylthiophene is sourced from PubChem (CID 88793695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).