2,3-dimethylbutane;bis(sulfanediol)

C6H18O4S2 — CID 119097400

IUPAC2,3-dimethylbutane;bis(sulfanediol)
SMILESCC(C)C(C)C.OSO.OSO
InChIInChI=1S/C6H14.2H2O2S/c1-5(2)6(3)4;2*1-3-2/h5-6H,1-4H3;2*1-2H
InChIKeyRAXUADQLDRKCSY-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.63
Rot. Bonds1

About 2,3-dimethylbutane;bis(sulfanediol)

2,3-dimethylbutane;bis(sulfanediol) (PubChem CID 119097400) has the molecular formula C6H18O4S2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,3-dimethylbutane;bis(sulfanediol).

Molecular Properties

Compound Name2,3-dimethylbutane;bis(sulfanediol)
PubChem CID119097400
Molecular FormulaC6H18O4S2
Molecular Weight218.34 g/mol
Exact Mass218.06
IUPAC Name2,3-dimethylbutane;bis(sulfanediol)
SMILESCC(C)C(C)C.OSO.OSO
InChIInChI=1S/C6H14.2H2O2S/c1-5(2)6(3)4;2*1-3-2/h5-6H,1-4H3;2*1-2H
InChIKeyRAXUADQLDRKCSY-UHFFFAOYSA-N
XLogP3.63
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethylbutane;methanol
CID 142260145
2,3-dimethylbutane;ethane
CID 143330980
cobalt;tetramethylphosphanium
CID 175561525
2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
benzene;2,3-dimethylbutane;ethane
CID 159807591
2,3-dimethylbutane;ethane;propane
CID 144519619
bis(2,3-dimethylbutane);2,2,3,3-tetramethylbutane
CID 162068372
sulfuric acid;tetramethylphosphanium
CID 87132357
2,3-dimethylbutane tetrafluoroborate
CID 174871894
bis(propan-2-ylsulfanyl)phosphinous acid
CID 154181100
2-hydroxysulfanyloxypropane
CID 89110570
sodium;hydride;sulfanediol
CID 174652713

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane;bis(sulfanediol)?
The IUPAC name of 2,3-dimethylbutane;bis(sulfanediol) (CID 119097400) is 2,3-dimethylbutane;bis(sulfanediol).
What is the SMILES notation for 2,3-dimethylbutane;bis(sulfanediol)?
The canonical SMILES for 2,3-dimethylbutane;bis(sulfanediol) is CC(C)C(C)C.OSO.OSO.
What is the InChIKey of 2,3-dimethylbutane;bis(sulfanediol)?
The InChIKey is RAXUADQLDRKCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2H2O2S/c1-5(2)6(3)4;2*1-3-2/h5-6H,1-4H3;2*1-2H.
What are the key properties of 2,3-dimethylbutane;bis(sulfanediol)?
2,3-dimethylbutane;bis(sulfanediol) has a molecular weight of 218.34 g/mol, XLogP of 3.63, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane;bis(sulfanediol) is sourced from PubChem (CID 119097400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).