Home Bromides 2227-62-5
2227-62-5,MFCD04973313
Catalog No.:AA003J2K
2227-62-5 | 3-Bromobenzenecarbothioamide
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$15.00   $10.00
- +
5g
98%
in stock  
$32.00   $22.00
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25g
98%
in stock  
$122.00   $85.00
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100g
98%
in stock  
$413.00   $289.00
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J2K
Chemical Name:
3-Bromobenzenecarbothioamide
CAS Number:
2227-62-5
Molecular Formula:
C7H6BrNS
Molecular Weight:
216.0982
MDL Number:
MFCD04973313
IUPAC Name:
3-bromobenzenecarbothioamide
InChI:
InChI=1S/C7H6BrNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChI Key:
YCFFEUUASMKLDX-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=S)N
Properties
Computed Properties
 
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.94g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.096g/mol
Monoisotopic Mass:
214.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
3-Bromothiobenzamide 
2227-62-5 
ACMC-1CBYQ 
3-Bromothiobenzamide, 97% 
3-bromanylbenzenecarbothioamide 
SCHEMBL2221662 
CTK4E9080 
DTXSID40176814 
YCFFEUUASMKLDX-UHFFFAOYSA-N 
HMS1759D14 
ZINC2540594 
MFCD04973313 
3-Bromobenzenecarbothioamide 
SBB095206 
AKOS001060926 
AB21268 
MCULE-8482981936 
VZ26524 
AS-44297 
CJ-09215 
SC-54283 
DB-045864 
TC-169771 
3-BROMOBENZOTHIOAMIDE 
FT-0634150 
ST51042052 
V4474 
A816078 
J-014621 
Z56985752 
C7H6BrNS 
C7-H6-Br-N-S 
ZINC02540594 
CID2757186 
Benzenecarbothioamide,3-bromo- 
3-bromo-thiobenzamide 
Benzenecarbothioamide, 3-bromo- 
3-BROMOBENZENE-1-CARBOTHIOAMIDE 
amino(3-bromophenyl)methane-1-thione 
AC1MBVAA 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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