Home Bromides 6320-01-0
6320-01-0,MFCD00009603
Catalog No.:AA003J2N
6320-01-0 | 3-Bromothiophenol
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Purity
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Price(USD)
Quantity
  
5g
>98.0%(GC)
1 week  
$102.00   $71.00
- +
25g
>98.0%(GC)
1 week  
$303.00   $212.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003J2N
Chemical Name:
3-Bromothiophenol
CAS Number:
6320-01-0
Molecular Formula:
C6H5BrS
Molecular Weight:
189.0729
MDL Number:
MFCD00009603
IUPAC Name:
3-bromobenzenethiol
InChI:
InChI=1S/C6H5BrS/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChI Key:
HNGQQUDFJDROPY-UHFFFAOYSA-N
SMILES:
Sc1cccc(c1)Br
EC Number:
228-664-9
NSC Number:
32017
Properties
Computed Properties
 
Complexity:
74.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.93g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.07g/mol
Monoisotopic Mass:
187.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
3-Bromothiophenol 
6320-01-0 
3-Bromothiophenol, 95% 
HNGQQUDFJDROPY-UHFFFAOYSA-N 
NSC32017 
EINECS 228-664-9 
3-bromo-benzenethiol 
PubChem6805 
3-Bromobenzenethiol # 
ACMC-209ndt 
AC1L2ZQU 
AC1Q7G9F 
3-Bromobenzenethiol 
SCHEMBL48315 
KSC355C8F 
AC1Q25X7 
CTK2F5182 
KS-00000VZK 
DTXSID90212559 
ZINC404764 
ANW-34575 
KM0715 
NSC-32017 
m-Bromobenzenethiol 
SBB066529 
AKOS006221408 
MCULE-3970245899 
PS-4355 
RP24872 
RTR-021771 
VZ26525 
TRA-0206018 
AC-10873 
BC003193 
m-Bromothiophenol 
BC667223 
SC-05958 
DB-006387 
TL8006741 
TR-021771 
B2348 
CS-0040443 
FT-0601021 
ST51038102 
EN300-65447 
3-Bromo thiophenol 
Y11026 
W-104929 
Epibromohydrin 
5-Bromothiophen-2-ol 
C6-H5-Br-S 
CID80597 
AR-1J3883 
3-Bromothiophenol, 98% - 1G 1g 
64001-70-3 
3-bromobenzene-1-thiol 
Benzenethiol, 3-bromo- 
3-Bromophenyl mercaptan 
MFCD00009603 
Literature

Title: Selective inhibitors of the JMJD2 histone demethylases: combined nondenaturing mass spectrometric screening and crystallographic approaches.

Journal: Journal of medicinal chemistry 20100225

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