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32324-19-9,MFCD00037045
Catalog No.:AA003HVK
32324-19-9 | 2-Toluenesulfonyl isocyanate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$36.00   $25.00
- +
5g
95%
in stock  
$86.00   $60.00
- +
25g
95%
in stock  
$334.00   $234.00
- +
100g
95%
in stock  
$1,143.00   $800.00
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HVK
Chemical Name:
2-Toluenesulfonyl isocyanate
CAS Number:
32324-19-9
Molecular Formula:
C8H7NO3S
Molecular Weight:
197.2111
MDL Number:
MFCD00037045
IUPAC Name:
2-methyl-N-(oxomethylidene)benzenesulfonamide
InChI:
InChI=1S/C8H7NO3S/c1-7-4-2-3-5-8(7)13(11,12)9-6-10/h2-5H,1H3
InChI Key:
HEBTZZBBPUFAFE-UHFFFAOYSA-N
SMILES:
O=C=NS(=O)(=O)c1ccccc1C
Properties
Computed Properties
 
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.208g/mol
Monoisotopic Mass:
197.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Synonyms
 
32324-19-9 
2-Toluenesulfonyl isocyanate 
ACMC-1CSHU 
o-toluenesulfonylisocyanate 
o-toluenesulphonyl isocyanate 
SCHEMBL395353 
2-methylphenylsulfonylisocyanate 
2-methylbenzenesulfonylisocyanate 
2-methylphenylsulfonyl isocyanate 
CTK1C2270 
DTXSID40369840 
HEBTZZBBPUFAFE-UHFFFAOYSA-N 
o-Toluenesulfonyl isocyanate 
o-Toluenesulfonyl isocyanate, 95% 
ZINC2384724 
Benzenesulfonylisocyanate, 2-methyl- 
GEO-03973 
MFCD00037045 
SBB066584 
AKOS015897562 
Isocyanic Acid o-Toluenesulfonyl Ester 
VZ24982 
TC-170288 
2-Methylbenesulfonyl isocyanate 
FT-0639016 
ST50825415 
A821235 
I09-1283 
J-018706 
2-methyl-N-(oxidanylidenemethylidene)benzenesulfonamide 
ZINC02384724 
CID2733313 
T3194 
toluenesulfonyl isocyanate 
2-methyl-N-(oxomethylidene)benzenesulfonamide 
2-methylbenzenesulfonyl isocyanate 
(2-methylphenyl)sulfonylisocyanate 
AC1MBYLJ 
toluenesulfonylisocyanate 
Literature
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