2-hydroxysulfonothioylacetic acid

C2H4O4S2 — CID 88834268

IUPAC2-hydroxysulfonothioylacetic acid
SMILESO=C(O)CS(=O)(O)=S
InChIInChI=1S/C2H4O4S2/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)
InChIKeySJHNZFFGGHOLDA-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.71
Rot. Bonds2

About 2-hydroxysulfonothioylacetic acid

2-hydroxysulfonothioylacetic acid (PubChem CID 88834268) has the molecular formula C2H4O4S2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-hydroxysulfonothioylacetic acid.

Molecular Properties

Compound Name2-hydroxysulfonothioylacetic acid
PubChem CID88834268
Molecular FormulaC2H4O4S2
Molecular Weight156.18 g/mol
Exact Mass155.96
IUPAC Name2-hydroxysulfonothioylacetic acid
SMILESO=C(O)CS(=O)(O)=S
InChIInChI=1S/C2H4O4S2/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)
InChIKeySJHNZFFGGHOLDA-UHFFFAOYSA-N
XLogP-0.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azane;2-sulfoacetic acid
CID 131882326
2-sulfanylacetic acid;sulfurothioic O-acid
CID 118364595
ethane;2-sulfoacetic acid
CID 87201731
disodium;hydride;2-sulfoacetic acid
CID 173199775
platinum;sulfurothioic O-acid
CID 173374995
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid
CID 21418741
butanedioic acid;sulfane;sulfuric acid
CID 172824960
dodecane;2-sulfoacetic acid
CID 160755350
2-hydroxysulfonothioylbutanedioic acid
CID 159845011
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;sulfurothioic O-acid
CID 173369084
2-(bromo-ethyl-methyl-λ4-sulfanyl)acetic acid
CID 162394527
2-[dihydroxy(methylamino)-λ4-sulfanyl]acetic acid
CID 144966029

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysulfonothioylacetic acid?
The IUPAC name of 2-hydroxysulfonothioylacetic acid (CID 88834268) is 2-hydroxysulfonothioylacetic acid.
What is the SMILES notation for 2-hydroxysulfonothioylacetic acid?
The canonical SMILES for 2-hydroxysulfonothioylacetic acid is O=C(O)CS(=O)(O)=S.
What is the InChIKey of 2-hydroxysulfonothioylacetic acid?
The InChIKey is SJHNZFFGGHOLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4S2/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7).
What are the key properties of 2-hydroxysulfonothioylacetic acid?
2-hydroxysulfonothioylacetic acid has a molecular weight of 156.18 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysulfonothioylacetic acid is sourced from PubChem (CID 88834268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).