Home Halogens 3,5-Dichlorothiophenol

3,5-Dichlorothiophenol

CAS No.:
17231-94-6
Catalog Number:
AG003ILQ
Molecular Formula:
C6H4Cl2S
Molecular Weight:
179.0670
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Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$57
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Product Description
Catalog Number:
AG003ILQ
Chemical Name:
3,5-Dichlorothiophenol
CAS Number:
17231-94-6
Molecular Formula:
C6H4Cl2S
Molecular Weight:
179.0670
MDL Number:
MFCD00041423
IUPAC Name:
3,5-dichlorobenzenethiol
InChI:
InChI=1S/C6H4Cl2S/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChI Key:
WRXIPCQPHZMXOO-UHFFFAOYSA-N
SMILES:
Sc1cc(Cl)cc(c1)Cl
Properties
Complexity:
87.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.941g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.058g/mol
Monoisotopic Mass:
177.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Inhibition of human cytochrome P450 2E1 by halogenated anilines, phenols, and thiophenols. Biological & pharmaceutical bulletin 20050701
Properties