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886631-84-1 | N-(tert-butyl)-4-isothiocyanatobenzenesulfonamide
CAS No: 886631-84-1 Catalog No: AG00JC0L MDL No:MFCD07612642
Product Description
Catalog Number:
AG00JC0L
Chemical Name:
N-(tert-butyl)-4-isothiocyanatobenzenesulfonamide
CAS Number:
886631-84-1
Molecular Formula:
C11H14N2O2S2
Molecular Weight:
270.3711
MDL Number:
MFCD07612642
IUPAC Name:
N-tert-butyl-4-isothiocyanatobenzenesulfonamide
InChI:
InChI=1S/C11H14N2O2S2/c1-11(2,3)13-17(14,15)10-6-4-9(5-7-10)12-8-16/h4-7,13H,1-3H3
InChI Key:
DZMLGYKFFPJYOK-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)NC(C)(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.365g/mol
Monoisotopic Mass:
270.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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