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Bitoscanate

CAT: 0804-HY-B1160-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1160-01Size:100 mg
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Description
Bitoscanate (p-Phenylene diisothiocyanate) is an organic chemical compound used in the treatment of hookworms.
CAS Number
4044-65-9
Product Name Alternative
P-Phenylene diisothiocyanate; 1,4-Diisothiocyanatobenzene; PDITC
UNSPSC
12352005
Hazard Statement
H301, H315, H319, H334, H335
Target
Parasite
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/p-Phenylene-diisothiocyanate.html
Concentration
10mM
Purity
98.0
Solubility
DMSO : 20 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic)
Smiles
S=C=NC1=CC=C(N=C=S)C=C1
Molecular Formula
C8H4N2S2
Molecular Weight
192.26
Precautions
H301, H315, H319, H334, H335
References & Citations
[1]Gaitonde BB, et al. Clinical evaluation of a new anthelmintic; phenylene di-iso thiocyanate (Bitoscanate) in hookworm and roundworm infestation. J Trop Med Hyg. 1969 Oct;72 (10) :253-8.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

p-Phenylene diisothiocyanate

Bitoscanate is a member of benzenes.

CAS Number4044-65-9
PubChem CID19958
IUPAC Name1,4-diisothiocyanatobenzene
Molecular FormulaC8H4N2S2
Molecular Weight192.3
XLogP4.7
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity205
SMILES
C1=CC(=CC=C1N=C=S)N=C=S
InChI
InChI=1S/C8H4N2S2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h1-4H
InChIKey
OMWQUXGVXQELIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of p-Phenylene diisothiocyanate
CAS: 4044-65-9
CID: 19958
Formula: C8H4N2S2
MW: 192.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.3
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass191.98159048
Monoisotopic Mass191.98159048
Topological Polar Surface Area88.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity205
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T1383-01Bitoscanate

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