Home Iodos 98041-44-2
98041-44-2,MFCD00041057
Catalog No.:AA003HE6
98041-44-2 | 2-Iodophenyl isothiocyanate, 97%
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Price(USD)
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1g
98%
1 week  
$138.00
- +
5g
98%
1 week  
$250.00
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25g
98%
1 week  
$550.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HE6
Chemical Name:
2-Iodophenyl isothiocyanate, 97%
CAS Number:
98041-44-2
Molecular Formula:
C7H4INS
Molecular Weight:
261.0828
MDL Number:
MFCD00041057
IUPAC Name:
1-iodo-2-isothiocyanatobenzene
InChI:
InChI=1S/C7H4INS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI Key:
ODOTYLQYSDVPMA-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccccc1I
Properties
Computed Properties
 
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.911g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.08g/mol
Monoisotopic Mass:
260.911g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
2-Iodophenyl isothiocyanate 
98041-44-2 
DTXSID90243388 
1-Iodo-2-isothiocyanatobenzene # 
Benzene,1-iodo-2-isothiocyanato- 
2-Iodophenyl isothiocyanate, 97% 
1-iodanyl-2-isothiocyanato-benzene 
ZINC2390081 
AKOS009158134 
BP-12886 
SY041528 
DB-021240 
1-Iodo-2-isothiocyanatobenzene 
TR-030276 
FT-0612678 
MFCD00041057 (97%) 
A845795 
J-802089 
I01-17239 
2-Iodophenylisothiocyanate 
#NAME? 
CID145310 
ZINC02390081 
ODOTYLQYSDVPMA-UHFFFAOYSA-N 
4-Bromo-3-chlorophenyl isothiocyanate 
MFCD00041057 
AC1L3QXR 
o-iodophenyl isothiocyanate 
SCHEMBL1325334 
1-iodo-2-isothiocyanato-benzene 
CTK5H9661 
Literature
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