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956576-76-4 | N,N-diisopropyl-4-isothiocyanatobenzenesulfonamide
CAS No: 956576-76-4 Catalog No: AG00JC16 MDL No:MFCD09971968
Product Description
Catalog Number:
AG00JC16
Chemical Name:
N,N-diisopropyl-4-isothiocyanatobenzenesulfonamide
CAS Number:
956576-76-4
Molecular Formula:
C13H18N2O2S2
Molecular Weight:
298.4242
MDL Number:
MFCD09971968
IUPAC Name:
4-isothiocyanato-N,N-di(propan-2-yl)benzenesulfonamide
InChI:
InChI=1S/C13H18N2O2S2/c1-10(2)15(11(3)4)19(16,17)13-7-5-12(6-8-13)14-9-18/h5-8,10-11H,1-4H3
InChI Key:
LTLUOWYTEDQOLC-UHFFFAOYSA-N
SMILES:
CC(N(S(=O)(=O)c1ccc(cc1)N=C=S)C(C)C)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.419g/mol
Monoisotopic Mass:
298.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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