Home Halogens 3,4-Dichlorothiophenol

3,4-Dichlorothiophenol

CAS No.:
5858-17-3
Catalog Number:
AG003IGJ
Molecular Formula:
C6H4Cl2S
Molecular Weight:
179.0670
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$52
- +
5g
97%
1 week
United States
$59
- +
25g
97%
1 week
United States
$114
- +
100g
97%
1 week
United States
$309
- +
Product Description
Catalog Number:
AG003IGJ
Chemical Name:
3,4-Dichlorothiophenol
CAS Number:
5858-17-3
Molecular Formula:
C6H4Cl2S
Molecular Weight:
179.0670
MDL Number:
MFCD00004840
IUPAC Name:
3,4-dichlorobenzenethiol
InChI:
InChI=1S/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
InChI Key:
HNJZDPKMMZXSKT-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)Cl)Cl
EC Number:
227-485-3
Properties
Complexity:
97.1  
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:
3.5  
Literature
Title Journal
Inhibition of human cytochrome P450 2E1 by halogenated anilines, phenols, and thiophenols. Biological & pharmaceutical bulletin 20050701
Properties