disulfino hexanedioate

C6H10O8S2 — CID 57040811

IUPACdisulfino hexanedioate
SMILESO=C(CCCCC(=O)OS(=O)O)OS(=O)O
InChIInChI=1S/C6H10O8S2/c7-5(13-15(9)10)3-1-2-4-6(8)14-16(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKeyZVMIPJCRAIGDHP-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.09
Rot. Bonds7

About disulfino hexanedioate

disulfino hexanedioate (PubChem CID 57040811) has the molecular formula C6H10O8S2 and a molecular weight of 274.27 g/mol. Its IUPAC name is disulfino hexanedioate.

Molecular Properties

Compound Namedisulfino hexanedioate
PubChem CID57040811
Molecular FormulaC6H10O8S2
Molecular Weight274.27 g/mol
Exact Mass273.98
IUPAC Namedisulfino hexanedioate
SMILESO=C(CCCCC(=O)OS(=O)O)OS(=O)O
InChIInChI=1S/C6H10O8S2/c7-5(13-15(9)10)3-1-2-4-6(8)14-16(11)12/h1-4H2,(H,9,10)(H,11,12)
InChIKeyZVMIPJCRAIGDHP-UHFFFAOYSA-N
XLogP-0.09
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

heptanoyloxysulfinyl heptanoate
CID 91311548
1-O-(cyanoamino) 4-O-sulfino butanedioate
CID 57273250
hexanoyl sulfite
CID 174493276
pentanoyloxysulfinyl pentanoate
CID 54331487
sulfino 3-methylbutanoate
CID 91281138
9-(8-carboxyoctanoyloxymethoxy)-9-oxononanoic acid
CID 87582050
azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid
CID 173386370
diamino tetradecanedioate
CID 174564109
bis(hydroxymethyl) hexanedioate
CID 22892542
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
dimethyl hexanedioate;molecular hydrogen
CID 173272620
bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156

Frequently Asked Questions

What is the IUPAC name of disulfino hexanedioate?
The IUPAC name of disulfino hexanedioate (CID 57040811) is disulfino hexanedioate.
What is the SMILES notation for disulfino hexanedioate?
The canonical SMILES for disulfino hexanedioate is O=C(CCCCC(=O)OS(=O)O)OS(=O)O.
What is the InChIKey of disulfino hexanedioate?
The InChIKey is ZVMIPJCRAIGDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O8S2/c7-5(13-15(9)10)3-1-2-4-6(8)14-16(11)12/h1-4H2,(H,9,10)(H,11,12).
What are the key properties of disulfino hexanedioate?
disulfino hexanedioate has a molecular weight of 274.27 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disulfino hexanedioate is sourced from PubChem (CID 57040811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).