CID 73116340

C4H7LiO2S2 — CID 73116340

IUPAC—
SMILESO=S1[CH-]S(=O)CCC1.[Li+]
InChIInChI=1S/C4H7O2S2.Li/c5-7-2-1-3-8(6)4-7;/h4H,1-3H2;/q-1;+1
InChIKeyJCCKLGLKZPSRPQ-UHFFFAOYSA-N
MW158.17 g/mol
LogP-2.99
Rot. Bonds

About CID 73116340

CID 73116340 (PubChem CID 73116340) has the molecular formula C4H7LiO2S2 and a molecular weight of 158.17 g/mol.

Molecular Properties

Compound NameCID 73116340
PubChem CID73116340
Molecular FormulaC4H7LiO2S2
Molecular Weight158.17 g/mol
Exact Mass158.00
IUPAC Name—
SMILESO=S1[CH-]S(=O)CCC1.[Li+]
InChIInChI=1S/C4H7O2S2.Li/c5-7-2-1-3-8(6)4-7;/h4H,1-3H2;/q-1;+1
InChIKeyJCCKLGLKZPSRPQ-UHFFFAOYSA-N
XLogP-2.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 73116340?
The IUPAC name of CID 73116340 (CID 73116340) is not available.
What is the SMILES notation for CID 73116340?
The canonical SMILES for CID 73116340 is O=S1[CH-]S(=O)CCC1.[Li+].
What is the InChIKey of CID 73116340?
The InChIKey is JCCKLGLKZPSRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2S2.Li/c5-7-2-1-3-8(6)4-7;/h4H,1-3H2;/q-1;+1.
What are the key properties of CID 73116340?
CID 73116340 has a molecular weight of 158.17 g/mol, XLogP of -2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73116340 is sourced from PubChem (CID 73116340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).