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Home > Sulfanilamide > 99841-31-3
99841-31-3 | N,N-diethyl-4-isothiocyanatobenzenesulfonamide
CAS No: 99841-31-3 Catalog No: AG00JC0Z MDL No:MFCD09971961
Product Description
Catalog Number:
AG00JC0Z
Chemical Name:
N,N-diethyl-4-isothiocyanatobenzenesulfonamide
CAS Number:
99841-31-3
Molecular Formula:
C11H14N2O2S2
Molecular Weight:
270.3711
MDL Number:
MFCD09971961
IUPAC Name:
N,N-diethyl-4-isothiocyanatobenzenesulfonamide
InChI:
InChI=1S/C11H14N2O2S2/c1-3-13(4-2)17(14,15)11-7-5-10(6-8-11)12-9-16/h5-8H,3-4H2,1-2H3
InChI Key:
DNXFWDVJEABOIH-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(cc1)N=C=S)CC
Properties
Complexity:
371
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:
0
Isotope Atom Count:
0
Molecular Weight:
270.365g/mol
Monoisotopic Mass:
270.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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