butanedioic acid;sulfane;sulfuric acid

C4H10O8S2 — CID 172824960

IUPACbutanedioic acid;sulfane;sulfuric acid
SMILESO=C(O)CCC(=O)O.O=S(=O)(O)O.S
InChIInChI=1S/C4H6O4.H2O4S.H2S/c5-3(6)1-2-4(7)8;1-5(2,3)4;/h1-2H2,(H,5,6)(H,7,8);(H2,1,2,3,4);1H2
InChIKeyUSRZEQSZZLPGFK-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.60
Rot. Bonds3

About butanedioic acid;sulfane;sulfuric acid

butanedioic acid;sulfane;sulfuric acid (PubChem CID 172824960) has the molecular formula C4H10O8S2 and a molecular weight of 250.25 g/mol. Its IUPAC name is butanedioic acid;sulfane;sulfuric acid.

Molecular Properties

Compound Namebutanedioic acid;sulfane;sulfuric acid
PubChem CID172824960
Molecular FormulaC4H10O8S2
Molecular Weight250.25 g/mol
Exact Mass249.98
IUPAC Namebutanedioic acid;sulfane;sulfuric acid
SMILESO=C(O)CCC(=O)O.O=S(=O)(O)O.S
InChIInChI=1S/C4H6O4.H2O4S.H2S/c5-3(6)1-2-4(7)8;1-5(2,3)4;/h1-2H2,(H,5,6)(H,7,8);(H2,1,2,3,4);1H2
InChIKeyUSRZEQSZZLPGFK-UHFFFAOYSA-N
XLogP-0.60
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
butanedioic acid;difluoromethane
CID 159584710
azane;butanedioic acid;methanol
CID 131741728

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;sulfane;sulfuric acid?
The IUPAC name of butanedioic acid;sulfane;sulfuric acid (CID 172824960) is butanedioic acid;sulfane;sulfuric acid.
What is the SMILES notation for butanedioic acid;sulfane;sulfuric acid?
The canonical SMILES for butanedioic acid;sulfane;sulfuric acid is O=C(O)CCC(=O)O.O=S(=O)(O)O.S.
What is the InChIKey of butanedioic acid;sulfane;sulfuric acid?
The InChIKey is USRZEQSZZLPGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.H2O4S.H2S/c5-3(6)1-2-4(7)8;1-5(2,3)4;/h1-2H2,(H,5,6)(H,7,8);(H2,1,2,3,4);1H2.
What are the key properties of butanedioic acid;sulfane;sulfuric acid?
butanedioic acid;sulfane;sulfuric acid has a molecular weight of 250.25 g/mol, XLogP of -0.60, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;sulfane;sulfuric acid is sourced from PubChem (CID 172824960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).