Trithionic acid
Appearance
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IUPAC names | |
Identifiers | |
3D model (JSmol)
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ChEBI | |
ChEMBL | |
ChemSpider | |
PubChem CID
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CompTox Dashboard (EPA)
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Properties | |
Template:Chemical formula[17][18][19][20] | |
Molar mass | 194.19 g·mol−1[21] |
Density | 2.4±0.1 g/cm3[22] |
Melting point | 324.41[23] °C (615.94 °F; 597.56 K) |
Boiling point | 739.35[24] °C (1,362.83 °F; 1,012.50 K) |
1e+006 mg/L[25] | |
log P | -1.1[26] |
Vapor pressure | 1.07E-016 Pa (8.05E-019 mm Hg)[27] |
Acidity (pKa) | -6.94[28] |
Conjugate base | Hydrogen trithionate |
Refractive index (nD)
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1.700[29] |
Pharmacology | |
Pharmacokinetics: | |
0.570 hours[30] | |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Trithionic acid is a polythionic acid consisting of three sulfur atoms. It can be viewed as two bisulfite radicals bridged by a sulfur atom.
References
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. p. Names. Retrieved 23 September 2018.
Thiodisulfuric acid [ACD/Index Name] [ACD/IUPAC Name]
- ^ Team, EBI Web. "trithionic acid (CHEBI:29210)". www.ebi.ac.uk. Retrieved 23 September 2018.
IUPAC Names 1,5-dihydrido-2,2,4,4-tetraoxido-1,5-dioxy-2,3,4-trisulfy-[5]catena trithionic acid
- ^ "Trithionic acid". pubchem.ncbi.nlm.nih.gov. Retrieved 23 September 2018.
CAS 27621-39-2
- ^ Team, EBI Web. "trithionic acid (CHEBI:29210)". www.ebi.ac.uk. Retrieved 23 September 2018.
27621-39-2 CAS Registry Number
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. p. Data Sources. Retrieved 23 September 2018.
ChEBI CHEBI:29210
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. p. Data Sources. Retrieved 23 September 2018.
ChEMBL CHEMBL3754893
- ^ "Compound Report Card". www.ebi.ac.uk. Retrieved 23 September 2018.
ChemSpider ChemSpider:KRURGYOKPVLRHQ-UHFFFAOYSA-N
- ^ "Trithionic acid". pubchem.ncbi.nlm.nih.gov. Retrieved 23 September 2018.
PubChem CID: 492
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. p. Data Sources. Retrieved 23 September 2018.
PubChemNIH Substance Repository 492
- ^ "Trithionic acid". pubchem.ncbi.nlm.nih.gov. Retrieved 23 September 2018.
InChI InChI=1S/H2O6S3/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)
- ^ Team, EBI Web. "trithionic acid (CHEBI:29210)". www.ebi.ac.uk. Retrieved 23 September 2018.
InChI InChI=1S/H2O6S3/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)
- ^ "Compound Report Card". www.ebi.ac.uk. Retrieved 23 September 2018.
Standard InChI InChI=1S/H2O6S3/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)
- ^ "Trithionic acid". pubchem.ncbi.nlm.nih.gov. Retrieved 23 September 2018.
InChI Key KRURGYOKPVLRHQ-UHFFFAOYSA-N
- ^ Team, EBI Web. "trithionic acid (CHEBI:29210)". www.ebi.ac.uk. Retrieved 23 September 2018.
InChIKey KRURGYOKPVLRHQ-UHFFFAOYSA-N
- ^ "Compound Report Card". www.ebi.ac.uk. Retrieved 23 September 2018.
Standard InChI Key KRURGYOKPVLRHQ-UHFFFAOYSA-N
- ^ "Trithionic acid". pubchem.ncbi.nlm.nih.gov. Retrieved 23 September 2018.
InChI Key: KRURGYOKPVLRHQ-UHFFFAOYSA-N
- ^ "Compound Report Card". www.ebi.ac.uk. Retrieved 23 September 2018.
Molecular Formula H2O6S3
- ^ Team, EBI Web. "trithionic acid (CHEBI:29210)". www.ebi.ac.uk. Retrieved 23 September 2018.
Formula H2O6S3
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. Retrieved 23 September 2018.
Molecular FormulaH2O6S3
- ^ "Trithionic acid". pubchem.ncbi.nlm.nih.gov. Retrieved 23 September 2018.
Molecular Formula: H2O6S3
- ^ "Trithionic acid". pubchem.ncbi.nlm.nih.gov. Retrieved 23 September 2018.
Formal Charge 0
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. Retrieved 23 September 2018.
Density: 2.4±0.1 g/cm3
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. Retrieved 23 September 2018.
Melting Pt (deg C): 324.41 (Mean or Weighted MP)
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. Retrieved 23 September 2018.
Boiling Pt (deg C): 739.35 (Adapted Stein & Brown method)
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. Retrieved 23 September 2018.
Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -3.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L
- ^ "Compound Report Card". www.ebi.ac.uk. Retrieved 23 September 2018.
ACD LogP: -1.1
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. Retrieved 23 September 2018.
Vapor pressure (liquid/subcooled): 1.07E-016 Pa (8.05E-019 mm Hg)
- ^ "Compound Report Card". www.ebi.ac.uk. Retrieved 23 September 2018.
ACD Acidic pKa: -6.94
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. Retrieved 23 September 2018.
Index of Refraction: 1.700
- ^ "trithionic acid | H2O6S3 | ChemSpider". www.chemspider.com. Retrieved 23 September 2018.
Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.570 Hrs