Home Carboxes 17231-94-6
17231-94-6,MFCD00041423
Catalog No.:AA003IIY
17231-94-6 | 3,5-Dichlorothiophenol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$116.00   $82.00
- +
5g
>97.0%(GC)
in stock  
$147.00   $103.00
- +
25g
97%
in stock  
$293.00   $205.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IIY
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
Computed 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  

Synonyms
 
3,5-Dichlorothiophenol 
3,5-Dichlorobenzenethiol 
PubChem6804 
3,5-dichloro-thiophenol 
AC1MC4TI 
3,5-dichloro-benzenethiol 
ACMC-209e4e 
3,5-Dichlorophenyl mercaptan 
Benzenethiol, 3,5-dichloro- 
SCHEMBL441794 
3,5-bis(chloranyl)benzenethiol 
CTK3J1396 
17231-94-6 
DTXSID40371125 
ZINC404018 
ZX-AT006819 
ANW-22572 
BBL100273 
FCH931883 
OR0770 
SBB058939 
STL497387 
AKOS005254598 
3,5-Dichloro thiophenol 
MCULE-1388034841 
RP24021 
RTR-007591 
VZ25749 
ACM17231946 
KS-0000154T 
TRA-0204584 
CC-13520 
L447 
SC-01681 
3,5-dichlorobenzenthiol 
DB-043892 
TL8006740 
TR-007591 
D1905 
FT-0614580 
ST51041409 
A811402 
C-06492 
I09-0733 
J-511311 
3,5-Dichlorobenzenethiol, 97% 
C6H4Cl2S 
CID2736096 
WRXIPCQPHZMXOO-UHFFFAOYSA-N 
MFCD00041423 
EN300-83295 
3,5-dichlorobenzene-1-thiol 
Literature

Title: Inhibition of human cytochrome P450 2E1 by halogenated anilines, phenols, and thiophenols.

Journal: Biological & pharmaceutical bulletin 20050701

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