disodium;sulfanide;acetate

C2H4Na2O2S — CID 173135140

IUPACdisodium;sulfanide;acetate
SMILESCC(=O)[O-].[Na+].[Na+].[SH-]
InChIInChI=1S/C2H4O2.2Na.H2S/c1-2(3)4;;;/h1H3,(H,3,4);;;1H2/q;2*+1;/p-2
InChIKeyBBNJFLOQBJECAH-UHFFFAOYSA-L
MW138.10 g/mol
LogP-7.51
Rot. Bonds

About disodium;sulfanide;acetate

disodium;sulfanide;acetate (PubChem CID 173135140) has the molecular formula C2H4Na2O2S and a molecular weight of 138.10 g/mol. Its IUPAC name is disodium;sulfanide;acetate.

Molecular Properties

Compound Namedisodium;sulfanide;acetate
PubChem CID173135140
Molecular FormulaC2H4Na2O2S
Molecular Weight138.10 g/mol
Exact Mass137.97
IUPAC Namedisodium;sulfanide;acetate
SMILESCC(=O)[O-].[Na+].[Na+].[SH-]
InChIInChI=1S/C2H4O2.2Na.H2S/c1-2(3)4;;;/h1H3,(H,3,4);;;1H2/q;2*+1;/p-2
InChIKeyBBNJFLOQBJECAH-UHFFFAOYSA-L
XLogP-7.51
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 5-7.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

nonasodium;nonaacetate
CID 173443222
sodium;hydron;triacetate
CID 173121634
sodium;acetate;trihydrate
CID 23665404
sodium;acetate;trihydrofluoride
CID 172761892
potassium;sodium;diacetate
CID 21470705
trisodium;acetate;carbonate
CID 169079974
sodium;alumane;acetate
CID 173418045
tetrasodium;tetraacetate;hydrate
CID 141360802
pentasodium;ethene;pentaacetate
CID 172708449
disodium;acetic acid;diacetate
CID 173429672
disodium;acetate;chloride;trihydrate
CID 160847584
tetrasodium;acetic acid;tetraacetate
CID 175423347

Frequently Asked Questions

What is the IUPAC name of disodium;sulfanide;acetate?
The IUPAC name of disodium;sulfanide;acetate (CID 173135140) is disodium;sulfanide;acetate.
What is the SMILES notation for disodium;sulfanide;acetate?
The canonical SMILES for disodium;sulfanide;acetate is CC(=O)[O-].[Na+].[Na+].[SH-].
What is the InChIKey of disodium;sulfanide;acetate?
The InChIKey is BBNJFLOQBJECAH-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4O2.2Na.H2S/c1-2(3)4;;;/h1H3,(H,3,4);;;1H2/q;2*+1;/p-2.
What are the key properties of disodium;sulfanide;acetate?
disodium;sulfanide;acetate has a molecular weight of 138.10 g/mol, XLogP of -7.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;sulfanide;acetate is sourced from PubChem (CID 173135140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).