2-sulfanylacetic acid;sulfurothioic O-acid

C2H6O5S3 — CID 118364595

IUPAC2-sulfanylacetic acid;sulfurothioic O-acid
SMILESO=C(O)CS.O=S(O)(O)=S
InChIInChI=1S/C2H4O2S.H2O3S2/c3-2(4)1-5;1-5(2,3)4/h5H,1H2,(H,3,4);(H2,1,2,3,4)
InChIKeyQORMUZLAEQXPSX-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.32
Rot. Bonds1

About 2-sulfanylacetic acid;sulfurothioic O-acid

2-sulfanylacetic acid;sulfurothioic O-acid (PubChem CID 118364595) has the molecular formula C2H6O5S3 and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-sulfanylacetic acid;sulfurothioic O-acid.

Molecular Properties

Compound Name2-sulfanylacetic acid;sulfurothioic O-acid
PubChem CID118364595
Molecular FormulaC2H6O5S3
Molecular Weight206.27 g/mol
Exact Mass205.94
IUPAC Name2-sulfanylacetic acid;sulfurothioic O-acid
SMILESO=C(O)CS.O=S(O)(O)=S
InChIInChI=1S/C2H4O2S.H2O3S2/c3-2(4)1-5;1-5(2,3)4/h5H,1H2,(H,3,4);(H2,1,2,3,4)
InChIKeyQORMUZLAEQXPSX-UHFFFAOYSA-N
XLogP-0.32
TPSA94.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;2-sulfanylacetic acid;sulfooxy hydrogen sulfate
CID 174592442
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
platinum;sulfurothioic O-acid
CID 173374995
2-hydroxysulfonothioylacetic acid
CID 88834268
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid
CID 21418741
2-oxo-2-sulfanylacetic acid;2-sulfanylacetic acid
CID 87248159
ethane-1,2-diamine;2-sulfanylacetic acid
CID 161137950

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylacetic acid;sulfurothioic O-acid?
The IUPAC name of 2-sulfanylacetic acid;sulfurothioic O-acid (CID 118364595) is 2-sulfanylacetic acid;sulfurothioic O-acid.
What is the SMILES notation for 2-sulfanylacetic acid;sulfurothioic O-acid?
The canonical SMILES for 2-sulfanylacetic acid;sulfurothioic O-acid is O=C(O)CS.O=S(O)(O)=S.
What is the InChIKey of 2-sulfanylacetic acid;sulfurothioic O-acid?
The InChIKey is QORMUZLAEQXPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S.H2O3S2/c3-2(4)1-5;1-5(2,3)4/h5H,1H2,(H,3,4);(H2,1,2,3,4).
What are the key properties of 2-sulfanylacetic acid;sulfurothioic O-acid?
2-sulfanylacetic acid;sulfurothioic O-acid has a molecular weight of 206.27 g/mol, XLogP of -0.32, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylacetic acid;sulfurothioic O-acid is sourced from PubChem (CID 118364595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).