Home Bromides 16582-78-8
16582-78-8,MFCD11855822
Catalog No.:AA003IZM
16582-78-8 | 3-Bromo-4-thiocyanatoaniline
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
2 weeks  
$111.00   $78.00
- +
5g
97%
2 weeks  
$333.00   $233.00
- +
25g
97%
Inquire
$1,029.00   $720.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IZM
Chemical Name:
3-Bromo-4-thiocyanatoaniline
CAS Number:
16582-78-8
Molecular Formula:
C7H5BrN2S
Molecular Weight:
229.0970
MDL Number:
MFCD11855822
IUPAC Name:
(4-amino-2-bromophenyl) thiocyanate
InChI:
InChI=1S/C7H5BrN2S/c8-6-3-5(10)1-2-7(6)11-4-9/h1-3H,10H2
InChI Key:
WPPDBNWAJPCNEU-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1Br)N
Properties
Computed Properties
 
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.936g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.095g/mol
Monoisotopic Mass:
227.936g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
3-Bromo-4-thiocyanatoaniline 
16582-78-8 
AKOS015834587 
CJ-19459 
TR-007145 
V3669 
B-3402 
I09-2115 
C7H5BrN2S 
ACMC-209dt9 
CTK4D2181 
DTXSID40649139 
2-Bromo-4-aminophenyl thiocyanate 
4-Amino-2-bromophenyl thiocyanate 
ANW-22171 
MFCD11855822 
ZINC38537411 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A
Related Products