CAS 133-49-3 | Benzenethiol, 2,3,4,5,6-pentachloro- | CAS Number 133-49-3

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133-49-3 | Benzenethiol, 2,3,4,5,6-pentachloro-

CAS No: 133-49-3 Catalog No: AG0011H8 MDL No:MFCD00059146

Product Description

Catalog Number:

AG0011H8

Chemical Name:

Benzenethiol, 2,3,4,5,6-pentachloro-

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

281.821g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.384g/mol

Monoisotopic Mass:

279.824g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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