CID 134881566

C6H9LiOS — CID 134881566

IUPAC—
SMILESO=S1[C-]=CCCCC1.[Li+]
InChIInChI=1S/C6H9OS.Li/c7-8-5-3-1-2-4-6-8;/h3H,1-2,4,6H2;/q-1;+1
InChIKeyJXJIOIPJHCWOPS-UHFFFAOYSA-N
MW136.15 g/mol
LogP-1.76
Rot. Bonds

About CID 134881566

CID 134881566 (PubChem CID 134881566) has the molecular formula C6H9LiOS and a molecular weight of 136.15 g/mol.

Molecular Properties

Compound NameCID 134881566
PubChem CID134881566
Molecular FormulaC6H9LiOS
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name—
SMILESO=S1[C-]=CCCCC1.[Li+]
InChIInChI=1S/C6H9OS.Li/c7-8-5-3-1-2-4-6-8;/h3H,1-2,4,6H2;/q-1;+1
InChIKeyJXJIOIPJHCWOPS-UHFFFAOYSA-N
XLogP-1.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-1.76
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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Frequently Asked Questions

What is the IUPAC name of CID 134881566?
The IUPAC name of CID 134881566 (CID 134881566) is not available.
What is the SMILES notation for CID 134881566?
The canonical SMILES for CID 134881566 is O=S1[C-]=CCCCC1.[Li+].
What is the InChIKey of CID 134881566?
The InChIKey is JXJIOIPJHCWOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9OS.Li/c7-8-5-3-1-2-4-6-8;/h3H,1-2,4,6H2;/q-1;+1.
What are the key properties of CID 134881566?
CID 134881566 has a molecular weight of 136.15 g/mol, XLogP of -1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134881566 is sourced from PubChem (CID 134881566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).