sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid

C4H10NNaO4S2 — CID 173410067

IUPACsodium;azane;2-sulfanylacetate;2-sulfanylacetic acid
SMILESN.O=C(O)CS.O=C([O-])CS.[Na+]
InChIInChI=1S/2C2H4O2S.H3N.Na/c2*3-2(4)1-5;;/h2*5H,1H2,(H,3,4);1H3;/q;;;+1/p-1
InChIKeyRQUZIVNZKNGGES-UHFFFAOYSA-M
MW223.25 g/mol
LogP-4.17
Rot. Bonds2

About sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid

sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid (PubChem CID 173410067) has the molecular formula C4H10NNaO4S2 and a molecular weight of 223.25 g/mol. Its IUPAC name is sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid.

Molecular Properties

Compound Namesodium;azane;2-sulfanylacetate;2-sulfanylacetic acid
PubChem CID173410067
Molecular FormulaC4H10NNaO4S2
Molecular Weight223.25 g/mol
Exact Mass222.99
IUPAC Namesodium;azane;2-sulfanylacetate;2-sulfanylacetic acid
SMILESN.O=C(O)CS.O=C([O-])CS.[Na+]
InChIInChI=1S/2C2H4O2S.H3N.Na/c2*3-2(4)1-5;;/h2*5H,1H2,(H,3,4);1H3;/q;;;+1/p-1
InChIKeyRQUZIVNZKNGGES-UHFFFAOYSA-M
XLogP-4.17
TPSA112.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-4.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azanium 2-sulfanylacetate
CID 21534
calcium;bis(2-sulfanylacetate);hydrate
CID 139823840
cobalt;2-sulfanylacetic acid
CID 88801503
CID 57473469
CID 57473469
manganese;2-sulfanylacetic acid
CID 175094975
2-sulfanylacetic acid;hydrochloride
CID 87316601
2-sulfanylacetic acid;sulfurous acid
CID 163597017
ethane-1,2-dithiol;bis(2-sulfanylacetic acid)
CID 19352306
strontium;hydride;2-sulfanylacetic acid
CID 173001383
CID 175203237
CID 175203237
disodium;3,4-diethylhexane-3,4-diol;bis(2-sulfanylacetate)
CID 174650042
ethane-1,2-diol;bis(2-sulfanylacetic acid);hydrate
CID 175262329

Frequently Asked Questions

What is the IUPAC name of sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid?
The IUPAC name of sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid (CID 173410067) is sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid.
What is the SMILES notation for sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid?
The canonical SMILES for sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid is N.O=C(O)CS.O=C([O-])CS.[Na+].
What is the InChIKey of sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid?
The InChIKey is RQUZIVNZKNGGES-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H4O2S.H3N.Na/c2*3-2(4)1-5;;/h2*5H,1H2,(H,3,4);1H3;/q;;;+1/p-1.
What are the key properties of sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid?
sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid has a molecular weight of 223.25 g/mol, XLogP of -4.17, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid is sourced from PubChem (CID 173410067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).