sulfino butane-2-sulfonate

C4H10O5S2 — CID 91164516

IUPACsulfino butane-2-sulfonate
SMILESCCC(C)S(=O)(=O)OS(=O)O
InChIInChI=1S/C4H10O5S2/c1-3-4(2)11(7,8)9-10(5)6/h4H,3H2,1-2H3,(H,5,6)
InChIKeyBOWGPAQFTRPNQN-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.27
Rot. Bonds4

About sulfino butane-2-sulfonate

sulfino butane-2-sulfonate (PubChem CID 91164516) has the molecular formula C4H10O5S2 and a molecular weight of 202.25 g/mol. Its IUPAC name is sulfino butane-2-sulfonate.

Molecular Properties

Compound Namesulfino butane-2-sulfonate
PubChem CID91164516
Molecular FormulaC4H10O5S2
Molecular Weight202.25 g/mol
Exact Mass202.00
IUPAC Namesulfino butane-2-sulfonate
SMILESCCC(C)S(=O)(=O)OS(=O)O
InChIInChI=1S/C4H10O5S2/c1-3-4(2)11(7,8)9-10(5)6/h4H,3H2,1-2H3,(H,5,6)
InChIKeyBOWGPAQFTRPNQN-UHFFFAOYSA-N
XLogP0.27
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sulfo butane-2-sulfonate
CID 175236017
bis(butan-2-ylsulfonyloxy)bismuthanyl butane-2-sulfonate
CID 139949440
(2R)-butane-2-sulfonic acid
CID 46398806
butan-2-yl(triethyl)-λ4-sulfane
CID 154937143
CID 87069248
CID 87069248
butane-2-sulfinic acid
CID 12672761
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291
[(2R)-butan-2-yl]-imino-methyl-oxo-λ6-sulfane
CID 125456687
[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl] butane-2-sulfonate
CID 20770008
2-[(2R)-butan-2-yl]sulfonylacetic acid
CID 28744627
3-methyl-2-(sulfinoamino)pentane
CID 57324633
3-butan-2-ylsulfonyloxypropyl 2-methylprop-2-enoate
CID 174805251

Frequently Asked Questions

What is the IUPAC name of sulfino butane-2-sulfonate?
The IUPAC name of sulfino butane-2-sulfonate (CID 91164516) is sulfino butane-2-sulfonate.
What is the SMILES notation for sulfino butane-2-sulfonate?
The canonical SMILES for sulfino butane-2-sulfonate is CCC(C)S(=O)(=O)OS(=O)O.
What is the InChIKey of sulfino butane-2-sulfonate?
The InChIKey is BOWGPAQFTRPNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O5S2/c1-3-4(2)11(7,8)9-10(5)6/h4H,3H2,1-2H3,(H,5,6).
What are the key properties of sulfino butane-2-sulfonate?
sulfino butane-2-sulfonate has a molecular weight of 202.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfino butane-2-sulfonate is sourced from PubChem (CID 91164516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).