dilithium bis(2-hydroxythiobenzate)

C14H10Li2O4S2 — CID 135841609

IUPACdilithium bis(2-hydroxythiobenzate)
SMILESO=C([S-])c1ccccc1O.O=C([S-])c1ccccc1O.[Li+].[Li+]
InChIInChI=1S/2C7H6O2S.2Li/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;/q;;2*+1/p-2
InChIKeyWOKGUFYJDWXFAG-UHFFFAOYSA-L
MW320.25 g/mol
LogP-3.83
Rot. Bonds2

About dilithium bis(2-hydroxythiobenzate)

dilithium bis(2-hydroxythiobenzate) (PubChem CID 135841609) has the molecular formula C14H10Li2O4S2 and a molecular weight of 320.25 g/mol. Its IUPAC name is dilithium bis(2-hydroxythiobenzate).

Molecular Properties

Compound Namedilithium bis(2-hydroxythiobenzate)
PubChem CID135841609
Molecular FormulaC14H10Li2O4S2
Molecular Weight320.25 g/mol
Exact Mass320.03
IUPAC Namedilithium bis(2-hydroxythiobenzate)
SMILESO=C([S-])c1ccccc1O.O=C([S-])c1ccccc1O.[Li+].[Li+]
InChIInChI=1S/2C7H6O2S.2Li/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;/q;;2*+1/p-2
InChIKeyWOKGUFYJDWXFAG-UHFFFAOYSA-L
XLogP-3.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 5-3.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dilithium;hydride;2-hydroxybenzoic acid
CID 173002091
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
CID 87183669
CID 87183669
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
lithium;2-hydroxybenzoate;oxalic acid
CID 172798390
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
2-hydroxybenzoic acid;molecular hydrogen
CID 143717517

Frequently Asked Questions

What is the IUPAC name of dilithium bis(2-hydroxythiobenzate)?
The IUPAC name of dilithium bis(2-hydroxythiobenzate) (CID 135841609) is dilithium bis(2-hydroxythiobenzate).
What is the SMILES notation for dilithium bis(2-hydroxythiobenzate)?
The canonical SMILES for dilithium bis(2-hydroxythiobenzate) is O=C([S-])c1ccccc1O.O=C([S-])c1ccccc1O.[Li+].[Li+].
What is the InChIKey of dilithium bis(2-hydroxythiobenzate)?
The InChIKey is WOKGUFYJDWXFAG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2S.2Li/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;/q;;2*+1/p-2.
What are the key properties of dilithium bis(2-hydroxythiobenzate)?
dilithium bis(2-hydroxythiobenzate) has a molecular weight of 320.25 g/mol, XLogP of -3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium bis(2-hydroxythiobenzate) is sourced from PubChem (CID 135841609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).