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5858-17-3,MFCD00004840
Catalog No.:AA003IDR
5858-17-3 | 3,4-Dichlorothiophenol
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5g
95%
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$36.00   $25.00
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25g
95%
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$79.00   $55.00
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IDR
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
Computed 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  

Synonyms
 
3,4-dichlorobenzenethiol 
3,4-dichlorothiophenol 
HNJZDPKMMZXSKT-UHFFFAOYSA-N 
EINECS 227-485-3 
PubChem6803 
3,4dichloro-thiophenol 
ACMC-1ASET 
3,4-dichloro-thiophenol 
3 ,4-dichlorobenzenethiol 
3,4-dichlorophenylmercaptan 
AC1L2YH6 
3,4-Dichlorothiophenol 98% 
3,4-Dichlorothiophenol 
SCHEMBL364114 
3,4-bis(chloranyl)benzenethiol 
CTK4D4190 
HNJZDPKMMZXSKT-UHFFFAOYSA- 
DTXSID80207292 
ZINC388263 
ANW-32987 
KM0214 
SBB058938 
AKOS005206957 
3,4-Dichlorobenzenethiol 
MCULE-5621661659 
PS-8554 
RP24022 
VZ25498 
AK-77613 
U416 
DB-021875 
TL8006739 
TR-007589 
D1697 
5858-17-3 
FT-0614263 
ST51036725 
EN300-83296 
A831936 
W-105380 
1-Propanone,2-methyl-2-[(methylsulfonyl)oxy]-1-phenyl- 
InChI=1/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H 
C6H4Cl2S 
Dichloro-3,4-thiophenol 
C6-H4-Cl2-S 
3,4-Dichloro thiophenol 
CID79964 
3,4-Dichlorobenzenethiol, 98% - 1G 1g 
17231-17-3 
Benzenethiol, 3,4-dichloro- 
3,4-dichlorobenzene-1-thiol 
MFCD00004840 
3,4-Dichlorobenzenethiol, 97% 
Literature

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

Journal: Biological & pharmaceutical bulletin 20050701

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