nonane-3,7-disulfinate

C9H18O4S2-2 — CID 57226459

IUPACnonane-3,7-disulfinate
SMILESCCC(CCCC(CC)S(=O)[O-])S(=O)[O-]
InChIInChI=1S/C9H20O4S2/c1-3-8(14(10)11)6-5-7-9(4-2)15(12)13/h8-9H,3-7H2,1-2H3,(H,10,11)(H,12,13)/p-2
InChIKeyPUOWVUHJGSZGAC-UHFFFAOYSA-L
MW254.37 g/mol
LogP1.47
Rot. Bonds8

About nonane-3,7-disulfinate

nonane-3,7-disulfinate (PubChem CID 57226459) has the molecular formula C9H18O4S2-2 and a molecular weight of 254.37 g/mol. Its IUPAC name is nonane-3,7-disulfinate.

Molecular Properties

Compound Namenonane-3,7-disulfinate
PubChem CID57226459
Molecular FormulaC9H18O4S2-2
Molecular Weight254.37 g/mol
Exact Mass254.07
IUPAC Namenonane-3,7-disulfinate
SMILESCCC(CCCC(CC)S(=O)[O-])S(=O)[O-]
InChIInChI=1S/C9H20O4S2/c1-3-8(14(10)11)6-5-7-9(4-2)15(12)13/h8-9H,3-7H2,1-2H3,(H,10,11)(H,12,13)/p-2
InChIKeyPUOWVUHJGSZGAC-UHFFFAOYSA-L
XLogP1.47
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-ethylhexane-1,1-disulfinate
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zinc bis(butane-2-sulfinate)
CID 88826639
heptane-2-sulfinate
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1-chloro-6-oxohexane-2-sulfinate
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3-[pentan-3-yl(sulfinato)amino]pentane
CID 90702222
2-icosan-3-ylsulfinylbutan-1-ol
CID 23338529
propane sulfite
CID 21270602
1-pyrazin-2-ylbutane-2-sulfinate
CID 57048759
2-methyl-6-[6-methylheptan-2-yl(sulfinato)amino]heptane
CID 90709848
4-chlorohexane-3-sulfinate
CID 174681835

Frequently Asked Questions

What is the IUPAC name of nonane-3,7-disulfinate?
The IUPAC name of nonane-3,7-disulfinate (CID 57226459) is nonane-3,7-disulfinate.
What is the SMILES notation for nonane-3,7-disulfinate?
The canonical SMILES for nonane-3,7-disulfinate is CCC(CCCC(CC)S(=O)[O-])S(=O)[O-].
What is the InChIKey of nonane-3,7-disulfinate?
The InChIKey is PUOWVUHJGSZGAC-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H20O4S2/c1-3-8(14(10)11)6-5-7-9(4-2)15(12)13/h8-9H,3-7H2,1-2H3,(H,10,11)(H,12,13)/p-2.
What are the key properties of nonane-3,7-disulfinate?
nonane-3,7-disulfinate has a molecular weight of 254.37 g/mol, XLogP of 1.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-3,7-disulfinate is sourced from PubChem (CID 57226459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).