CID 170842918

C4H6Li2O4SSb — CID 170842918

IUPAC—
SMILESO=C(O)CC(S)C(=O)O.[Li].[Li].[Sb]
InChIInChI=1S/C4H6O4S.2Li.Sb/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;
InChIKeyWLADUFAVJIWEDE-UHFFFAOYSA-N
MW285.80 g/mol
LogP-1.30
Rot. Bonds3

About CID 170842918

CID 170842918 (PubChem CID 170842918) has the molecular formula C4H6Li2O4SSb and a molecular weight of 285.80 g/mol.

Molecular Properties

Compound NameCID 170842918
PubChem CID170842918
Molecular FormulaC4H6Li2O4SSb
Molecular Weight285.80 g/mol
Exact Mass284.93
IUPAC Name—
SMILESO=C(O)CC(S)C(=O)O.[Li].[Li].[Sb]
InChIInChI=1S/C4H6O4S.2Li.Sb/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;
InChIKeyWLADUFAVJIWEDE-UHFFFAOYSA-N
XLogP-1.30
TPSA74.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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2-sulfanylbutanoic acid
CID 159730662
(3S)-4-[(3-amino-3-oxopropyl)amino]-4-oxo-3-sulfanylbutanoic acid
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CID 163667054
2-sulfanylacetic acid;2-sulfanylbutanoic acid
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4-ethylperoxy-4-oxo-3-sulfanylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 170842918?
The IUPAC name of CID 170842918 (CID 170842918) is not available.
What is the SMILES notation for CID 170842918?
The canonical SMILES for CID 170842918 is O=C(O)CC(S)C(=O)O.[Li].[Li].[Sb].
What is the InChIKey of CID 170842918?
The InChIKey is WLADUFAVJIWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4S.2Li.Sb/c5-3(6)1-2(9)4(7)8;;;/h2,9H,1H2,(H,5,6)(H,7,8);;;.
What are the key properties of CID 170842918?
CID 170842918 has a molecular weight of 285.80 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170842918 is sourced from PubChem (CID 170842918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).