lithium cyclopentanethiolate

C5H9LiS — CID 20660853

IUPAClithium cyclopentanethiolate
SMILES[Li+].[S-]C1CCCC1
InChIInChI=1S/C5H10S.Li/c6-5-3-1-2-4-5;/h5-6H,1-4H2;/q;+1/p-1
InChIKeyDEEGXGFYVOXZFQ-UHFFFAOYSA-M
MW108.14 g/mol
LogP-1.52
Rot. Bonds

About lithium cyclopentanethiolate

lithium cyclopentanethiolate (PubChem CID 20660853) has the molecular formula C5H9LiS and a molecular weight of 108.14 g/mol. Its IUPAC name is lithium cyclopentanethiolate.

Molecular Properties

Compound Namelithium cyclopentanethiolate
PubChem CID20660853
Molecular FormulaC5H9LiS
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Namelithium cyclopentanethiolate
SMILES[Li+].[S-]C1CCCC1
InChIInChI=1S/C5H10S.Li/c6-5-3-1-2-4-5;/h5-6H,1-4H2;/q;+1/p-1
InChIKeyDEEGXGFYVOXZFQ-UHFFFAOYSA-M
XLogP-1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

Cyclopentanethiol
CID 15510
Disulfanylcyclopentane
CID 19832725
Cyclopentyl thiohypochlorite
CID 22755049
Sodium cyclopentanethiolate
CID 57665350
Cyclopentyl thiohypoiodite
CID 89955994
Trisulfanylcyclopentane
CID 141499006
CID 172835203
CID 172835203
Lithium;cyclopentanethiol;hydride
CID 174914176
Cyclopentyl thiohypobromite
CID 117036067

Frequently Asked Questions

What is the IUPAC name of lithium cyclopentanethiolate?
The IUPAC name of lithium cyclopentanethiolate (CID 20660853) is lithium cyclopentanethiolate.
What is the SMILES notation for lithium cyclopentanethiolate?
The canonical SMILES for lithium cyclopentanethiolate is [Li+].[S-]C1CCCC1.
What is the InChIKey of lithium cyclopentanethiolate?
The InChIKey is DEEGXGFYVOXZFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10S.Li/c6-5-3-1-2-4-5;/h5-6H,1-4H2;/q;+1/p-1.
What are the key properties of lithium cyclopentanethiolate?
lithium cyclopentanethiolate has a molecular weight of 108.14 g/mol, XLogP of -1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclopentanethiolate is sourced from PubChem (CID 20660853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).