Home Sulfos 1-[(4-Isothiocyanatophenyl)sulfonyl]piperidine

1-[(4-Isothiocyanatophenyl)sulfonyl]piperidine

CAS No.:
7356-55-0
Catalog Number:
AG005YMY
Molecular Formula:
C12H14N2O2S2
Molecular Weight:
282.3818
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
In Stock USA
United States
$258
- +
Product Description
Catalog Number:
AG005YMY
Chemical Name:
1-[(4-Isothiocyanatophenyl)sulfonyl]piperidine
CAS Number:
7356-55-0
Molecular Formula:
C12H14N2O2S2
Molecular Weight:
282.3818
MDL Number:
MFCD00023666
IUPAC Name:
1-(4-isothiocyanatophenyl)sulfonylpiperidine
InChI:
InChI=1S/C12H14N2O2S2/c15-18(16,14-8-2-1-3-9-14)12-6-4-11(5-7-12)13-10-17/h4-7H,1-3,8-9H2
InChI Key:
PMPSZAXEUCIVDC-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.05g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.376g/mol
Monoisotopic Mass:
282.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties