2-sulfanylacetic acid;sulfurous acid

C2H6O5S2 — CID 163597017

IUPAC2-sulfanylacetic acid;sulfurous acid
SMILESO=C(O)CS.O=S(O)O
InChIInChI=1S/C2H4O2S.H2O3S/c3-2(4)1-5;1-4(2)3/h5H,1H2,(H,3,4);(H2,1,2,3)
InChIKeyGUHRFVUAINDVNL-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.32
Rot. Bonds1

About 2-sulfanylacetic acid;sulfurous acid

2-sulfanylacetic acid;sulfurous acid (PubChem CID 163597017) has the molecular formula C2H6O5S2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-sulfanylacetic acid;sulfurous acid.

Molecular Properties

Compound Name2-sulfanylacetic acid;sulfurous acid
PubChem CID163597017
Molecular FormulaC2H6O5S2
Molecular Weight174.20 g/mol
Exact Mass173.97
IUPAC Name2-sulfanylacetic acid;sulfurous acid
SMILESO=C(O)CS.O=S(O)O
InChIInChI=1S/C2H4O2S.H2O3S/c3-2(4)1-5;1-4(2)3/h5H,1H2,(H,3,4);(H2,1,2,3)
InChIKeyGUHRFVUAINDVNL-UHFFFAOYSA-N
XLogP-0.32
TPSA94.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cobalt;2-sulfanylacetic acid
CID 88801503
CID 57473469
CID 57473469
manganese;2-sulfanylacetic acid
CID 175094975
2-sulfanylacetic acid;hydrochloride
CID 87316601
ethane-1,2-dithiol;bis(2-sulfanylacetic acid)
CID 19352306
strontium;hydride;2-sulfanylacetic acid
CID 173001383
2-hydroxyacetic acid;sulfurous acid
CID 87280138
sodium;azane;2-sulfanylacetate;2-sulfanylacetic acid
CID 173410067
2-chloroacetic acid;2-sulfanylacetic acid
CID 141375176
2-oxo-2-sulfanylacetic acid;2-sulfanylacetic acid
CID 87248159
ethane-1,2-diamine;2-sulfanylacetic acid
CID 161137950
ethane-1,2-diol;bis(2-sulfanylacetic acid);hydrate
CID 175262329

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylacetic acid;sulfurous acid?
The IUPAC name of 2-sulfanylacetic acid;sulfurous acid (CID 163597017) is 2-sulfanylacetic acid;sulfurous acid.
What is the SMILES notation for 2-sulfanylacetic acid;sulfurous acid?
The canonical SMILES for 2-sulfanylacetic acid;sulfurous acid is O=C(O)CS.O=S(O)O.
What is the InChIKey of 2-sulfanylacetic acid;sulfurous acid?
The InChIKey is GUHRFVUAINDVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S.H2O3S/c3-2(4)1-5;1-4(2)3/h5H,1H2,(H,3,4);(H2,1,2,3).
What are the key properties of 2-sulfanylacetic acid;sulfurous acid?
2-sulfanylacetic acid;sulfurous acid has a molecular weight of 174.20 g/mol, XLogP of -0.32, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylacetic acid;sulfurous acid is sourced from PubChem (CID 163597017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).