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Home Other Building Blocks 2-Iodophenyl isothiocyanate

2-Iodophenyl isothiocyanate

CAS No.:
2059-76-9
Catalog Number:
AG002AF1
Molecular Formula:
C7H4INS
Molecular Weight:
261.0828
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$55
- +
5g
98%
1 week
United States
$87
- +
25g
98%
1 week
United States
$212
- +
Product Description
Catalog Number:
AG002AF1
Chemical Name:
2-Iodophenyl isothiocyanate
CAS Number:
2059-76-9
Molecular Formula:
C7H4INS
Molecular Weight:
261.0828
MDL Number:
MFCD00041091
IUPAC Name:
1-iodo-4-isothiocyanatobenzene
InChI:
InChI=1S/C7H4INS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChI Key:
SNLGBRZZFRSXHA-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)I
NSC Number:
129262
Properties
Complexity:
146  
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:
4.2  
Literature
Title Journal
4-iodophenyl isothiocyanate: a neuroprotective compound. Restorative neurology and neuroscience 20120101
Passive and active fragment ion mass defect labeling: distinct proteomics potential of iodine-based reagents. Analytical chemistry 20090801
Averagine-scaling analysis and fragment ion mass defect labeling in peptide mass spectrometry. Analytical chemistry 20081001
Properties