Bitoscanate
Product Information
Molecular Formula
C8H4N2S2
Molecular Weight
192.26
Description
Bitoscanate is an organic chemical compound used in the treatment of hookworms.
Synonyms
Bitoscanate; 16842; Bitoscanatum; Hoe 16842; Phenylene thiocyanate; AI3-28258; HSDB 6435;; 1,4-Diisothiocyanatobenzene;1,4-Phenylene diisothiocyanate;
IUPAC Name
1,4-diisothiocyanatobenzene
SMILES
C1=CC(=CC=C1N=C=S)N=C=S
InChI
1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
InChI Key
OMWQUXGVXQELIX-UHFFFAOYSA-N
Boiling Point
339.4±25.0 °C(Predicted)
Melting Point
132 °C
Purity
≥95%
Density
1.3675 (rough estimate)
Solubility
Soluble in DMSO
Appearance
off-white to yellow to beige-grey crystalline
Application
Used in the treatment of hookworms.
Shelf Life
As supplied, 2 years from the QC date provided on the Certificate of Analysis, when stored properly
Storage
Store at 2-8 °C
Refractive Index
1.6000 (estimate)
LogP
log Kow = 4.67 (est)
Vapor Pressure
6.2X10-5 mm Hg at 25 °C /Estimated
Henry's Law Constant
1.13X10-4 atm-cu m/mole at 25 °C /Estimated/
Decomposition
When heated to decomposition it emits very toxic fumes of /hydrogen cyanide, nitrogen and sulfur oxides.
Odor
Odorless
Safety Information
Hazards
H301:
Toxic if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H334:
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H335:
May cause respiratory irritation.
H410:
Very toxic to aquatic life with long-lasting effects.
Toxic if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H334:
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H335:
May cause respiratory irritation.
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P273:
Avoid release to the environment.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P342+P311:
If experiencing respiratory symptoms:
Call a POISON CENTER or doctor/physician.
P391:
Collect spillage.
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P273:
Avoid release to the environment.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P342+P311:
If experiencing respiratory symptoms:
Call a POISON CENTER or doctor/physician.
P391:
Collect spillage.
Computed Properties
XLogP3
4.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
191.98159048 g/mol
Monoisotopic Mass
191.98159048 g/mol
Topological Polar Surface Area
88.9Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
205
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113599330-A | Compound anti-aging firming polypeptide skin care product and preparation method thereof | 2021-08-31 |
| CN-113604547-A | High-resolution space omics detection method for tissue sample | 2021-08-06 |
| CN-113580099-A | Coding type nanometer machine and control and preparation method thereof | 2021-06-21 |
| KR-102283267-B1 | Solid nozzle for high pressure | 2021-04-16 |
| CN-113109574-A | Kit for detecting anti-mutant citrullinated vimentin antibody and detection method | 2021-04-15 |
| RO-135085-A0 | CHEMICAL PROCESS FOR ASSEMBLING POLY (5-AMINO-1-NAFTOL) GRAFFEN OXIDE-BASED SENSOR-BASED SENSORS FOR EPIDERMAL GROWTH FACTOR RECEPTION | 2020-11-16 |
| CN-112167250-A | Temperature-sensitive type cyflumetofen capsule sustained release agent and preparation method thereof | 2020-10-13 |
| WO-2022056065-A1 | Bat assays for in vitro determination of allergic reaction | 2020-09-09 |
| WO-2022047268-A1 | Deposition of films onto battery material powders | 2020-08-29 |
| WO-2022044962-A1 | Curable composition for antimicrobial and antiviral material, antimicrobial and antiviral material, and antimicrobial and antiviral laminate | 2020-08-27 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22898660 | 2013-01-15 | Label-free impedimetric immunosensor for ultrasensitive detection of cancer marker Murine double minute 2 in brain tissue | Biosensors & bioelectronics |
| 22369042 | 2012-04-03 | Activated paper surfaces for the rapid hybridization of DNA through capillary transport | Analytical chemistry |
| 21872461 | 2011-11-15 | Piezoelectric immunosensor for direct and rapid detection of staphylococcal enterotoxin A (SEA) at the ng level | Biosensors & bioelectronics |
| 21941546 | 2011-01-01 | Pathobiology and chemoprevention of bladder cancer | Journal of oncology |
| 22174602 | 2011-01-01 | A supramolecular sensing platform for phosphate anions and an anthrax biomarker in a microfluidic device | International journal of molecular sciences |
| 20206011 | 2010-03-24 | Immobilization of trypsin onto 1,4-diisothiocyanatobenzene-activated porous glass for microreactor-based peptide mapping by capillary electrophoresis: effect of calcium ions on the immobilization procedure | Analytica chimica acta |
| 19763566 | 2010-02-01 | p-Isothiocyanatobenzyl-desferrioxamine: a new bifunctional chelate for facile radiolabeling of monoclonal antibodies with zirconium-89 for immuno-PET imaging | European journal of nuclear medicine and molecular imaging |
| 19489595 | 2009-07-01 | Electrochemical immunochip sensor for aflatoxin M1 detection | Analytical chemistry |
| 19250814 | 2009-04-15 | Surface immobilisation of antibody on cyclic olefin copolymer for sandwich immunoassay | Biosensors & bioelectronics |
| 18600474 | 2009-03-01 | Application of the functionalized congener approach to dendrimer-based signaling agents acting through A(2A) adenosine receptors | Purinergic signalling |
