Bitoscanate

Inquiry

Molecular Formula:

C8H4N2S2

Molecular Weight:

192.26

CAS Number:

4044-65-9

Catalog Number:

4044-65-9

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

Canonical 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.

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.

Computed Properties

XLogP3

4.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

191.98159048 g/mol

Monoisotopic Mass

191.98159048 g/mol

Topological Polar Surface Area

88.9Å²

Heavy Atom Count

Formal Charge

Complexity

205

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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