lithium (2,5-diaminophenyl) sulfite

C6H7LiN2O3S — CID 175298069

IUPAClithium (2,5-diaminophenyl) sulfite
SMILESNc1ccc(N)c(OS(=O)[O-])c1.[Li+]
InChIInChI=1S/C6H8N2O3S.Li/c7-4-1-2-5(8)6(3-4)11-12(9)10;/h1-3H,7-8H2,(H,9,10);/q;+1/p-1
InChIKeyPNRHPTPGXYHFHI-UHFFFAOYSA-M
MW194.14 g/mol
LogP-2.97
Rot. Bonds2

About lithium (2,5-diaminophenyl) sulfite

lithium (2,5-diaminophenyl) sulfite (PubChem CID 175298069) has the molecular formula C6H7LiN2O3S and a molecular weight of 194.14 g/mol. Its IUPAC name is lithium (2,5-diaminophenyl) sulfite.

Molecular Properties

Compound Namelithium (2,5-diaminophenyl) sulfite
PubChem CID175298069
Molecular FormulaC6H7LiN2O3S
Molecular Weight194.14 g/mol
Exact Mass194.03
IUPAC Namelithium (2,5-diaminophenyl) sulfite
SMILESNc1ccc(N)c(OS(=O)[O-])c1.[Li+]
InChIInChI=1S/C6H8N2O3S.Li/c7-4-1-2-5(8)6(3-4)11-12(9)10;/h1-3H,7-8H2,(H,9,10);/q;+1/p-1
InChIKeyPNRHPTPGXYHFHI-UHFFFAOYSA-M
XLogP-2.97
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-2.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methylphenyl) sulfite
CID 57141431
sodium (2-aminophenyl) sulfite
CID 156780353
(3-aminonaphthalen-2-yl) sulfite
CID 174651663
2,5-diaminobenzenesulfinate
CID 57291040
(4-amino-9,10-dioxoanthracen-1-yl) sulfite
CID 57176324
(6-amino-4-phenyldiazenylnaphthalen-1-yl) sulfite
CID 174909699
(4-amino-2-chloro-5-methylphenyl) sulfite;azane
CID 175289666
(5-aminonaphthalen-1-yl) sulfite
CID 67552132
2-dimethylphosphanyloxybenzene-1,4-diamine
CID 167302927
lithium 2,5-diaminobenzenesulfonate
CID 101305300
(3-amino-4-bromophenyl) sulfite
CID 57196986
(2,4-dimethylphenyl) sulfite
CID 57159721

Frequently Asked Questions

What is the IUPAC name of lithium (2,5-diaminophenyl) sulfite?
The IUPAC name of lithium (2,5-diaminophenyl) sulfite (CID 175298069) is lithium (2,5-diaminophenyl) sulfite.
What is the SMILES notation for lithium (2,5-diaminophenyl) sulfite?
The canonical SMILES for lithium (2,5-diaminophenyl) sulfite is Nc1ccc(N)c(OS(=O)[O-])c1.[Li+].
What is the InChIKey of lithium (2,5-diaminophenyl) sulfite?
The InChIKey is PNRHPTPGXYHFHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N2O3S.Li/c7-4-1-2-5(8)6(3-4)11-12(9)10;/h1-3H,7-8H2,(H,9,10);/q;+1/p-1.
What are the key properties of lithium (2,5-diaminophenyl) sulfite?
lithium (2,5-diaminophenyl) sulfite has a molecular weight of 194.14 g/mol, XLogP of -2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,5-diaminophenyl) sulfite is sourced from PubChem (CID 175298069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).