(hydroxydisulfanyl)ethane;2-sulfanylacetic acid

C4H10O3S3 — CID 174804994

IUPAC(hydroxydisulfanyl)ethane;2-sulfanylacetic acid
SMILESCCSSO.O=C(O)CS
InChIInChI=1S/C2H4O2S.C2H6OS2/c3-2(4)1-5;1-2-4-5-3/h5H,1H2,(H,3,4);3H,2H2,1H3
InChIKeyZPRILWNQUYXJIE-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.86
Rot. Bonds3

About (hydroxydisulfanyl)ethane;2-sulfanylacetic acid

(hydroxydisulfanyl)ethane;2-sulfanylacetic acid (PubChem CID 174804994) has the molecular formula C4H10O3S3 and a molecular weight of 202.32 g/mol. Its IUPAC name is (hydroxydisulfanyl)ethane;2-sulfanylacetic acid.

Molecular Properties

Compound Name(hydroxydisulfanyl)ethane;2-sulfanylacetic acid
PubChem CID174804994
Molecular FormulaC4H10O3S3
Molecular Weight202.32 g/mol
Exact Mass201.98
IUPAC Name(hydroxydisulfanyl)ethane;2-sulfanylacetic acid
SMILESCCSSO.O=C(O)CS
InChIInChI=1S/C2H4O2S.C2H6OS2/c3-2(4)1-5;1-2-4-5-3/h5H,1H2,(H,3,4);3H,2H2,1H3
InChIKeyZPRILWNQUYXJIE-UHFFFAOYSA-N
XLogP1.86
TPSA57.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', '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
carbonodithioic S,S-acid;(ethyldisulfanyl)ethane
CID 175110136
ethane-1,2-dithiol;bis(2-sulfanylacetic acid)
CID 19352306
strontium;hydride;2-sulfanylacetic acid
CID 173001383
2-sulfanylacetic acid;1-sulfanylethanol
CID 87683546
butane-1,1-dithiol;bis(2-sulfanylacetic acid)
CID 159854411
2-sulfanylacetic acid;2-sulfanylbutanoic acid
CID 87126143
2-chloroacetic acid;2-sulfanylacetic acid
CID 141375176
2-oxo-2-sulfanylacetic acid;2-sulfanylacetic acid
CID 87248159

Frequently Asked Questions

What is the IUPAC name of (hydroxydisulfanyl)ethane;2-sulfanylacetic acid?
The IUPAC name of (hydroxydisulfanyl)ethane;2-sulfanylacetic acid (CID 174804994) is (hydroxydisulfanyl)ethane;2-sulfanylacetic acid.
What is the SMILES notation for (hydroxydisulfanyl)ethane;2-sulfanylacetic acid?
The canonical SMILES for (hydroxydisulfanyl)ethane;2-sulfanylacetic acid is CCSSO.O=C(O)CS.
What is the InChIKey of (hydroxydisulfanyl)ethane;2-sulfanylacetic acid?
The InChIKey is ZPRILWNQUYXJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S.C2H6OS2/c3-2(4)1-5;1-2-4-5-3/h5H,1H2,(H,3,4);3H,2H2,1H3.
What are the key properties of (hydroxydisulfanyl)ethane;2-sulfanylacetic acid?
(hydroxydisulfanyl)ethane;2-sulfanylacetic acid has a molecular weight of 202.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxydisulfanyl)ethane;2-sulfanylacetic acid is sourced from PubChem (CID 174804994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).