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Home Halogens Pentachlorothiophenol

Pentachlorothiophenol

CAS No.:
133-49-3
Catalog Number:
AG0011H8
Molecular Formula:
C6HCl5S
Molecular Weight:
282.4021
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$45
- +
25g
95%
In Stock USA
United States
$180
- +
100g
95%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG0011H8
Chemical Name:
Pentachlorothiophenol
CAS Number:
133-49-3
Molecular Formula:
C6HCl5S
Molecular Weight:
282.4021
MDL Number:
MFCD00059146
IUPAC Name:
2,3,4,5,6-pentachlorobenzenethiol
InChI:
InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChI Key:
LLMLGZUZTFMXSA-UHFFFAOYSA-N
SMILES:
Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl
UNII:
92A1Z48VJB
NSC Number:
5578
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.821g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.384g/mol
Monoisotopic Mass:
279.824g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
Development of an HPLC method for determination of pentachloronitrobenzene, hexachlorobenzene and their possible metabolites. BMC chemical biology 20110101
Applicability of non-invasively collected matrices for human biomonitoring. Environmental health : a global access science source 20090101
Surface-enhanced Raman spectroscopy substrate composed of chemically modified gold colloid particles immobilized on magnetic microparticles. Analytical chemistry 20050215
Evaluation of a polyclonal antiserum to pentachlorothiophenol-acetic acid-KLH immunogen: binding properties and use with heterologous PCP derivatives in ELISA for pentachlorophenol. Analytical and bioanalytical chemistry 20040601
Properties