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Home Other Building Blocks 2H-1,3-benzodithiole-2-thione

2H-1,3-benzodithiole-2-thione

CAS No.:
934-36-1
Catalog Number:
AG01B187
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01B187
Chemical Name:
2H-1,3-benzodithiole-2-thione
CAS Number:
934-36-1
MDL Number:
MFCD00223351
IUPAC Name:
1,3-benzodithiole-2-thione
InChI:
InChI=1S/C7H4S3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChI Key:
PTYIRFMMOVOESN-UHFFFAOYSA-N
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.948g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.289g/mol
Monoisotopic Mass:
183.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Improved synthesis methods of standards used for quantitative determination of total isothiocyanates from broccoli in human urine. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070601
Chemopreventive functions of isothiocyanates. Drug news & perspectives 20050901
Identification and quantitation by high-performance liquid chromatography of mancozeb following derivatization by 1,2-benzenedithiol. Journal of analytical toxicology 20040101
[Determination of isothiocyanates in human urine by high performance liquid chromatography]. Se pu = Chinese journal of chromatography 20040101
Quantitative determination of dithiocarbamates in human plasma, serum, erythrocytes and urine: pharmacokinetics of broccoli sprout isothiocyanates in humans. Clinica chimica acta; international journal of clinical chemistry 20020201
Properties