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Home > Sulfanilamide > 878218-43-0
878218-43-0 | N,N-diethyl-3-isothiocyanato-4-methylbenzene-1-sulfonamide
CAS No: 878218-43-0 Catalog No: AG019HZT MDL No:MFCD06654921
Product Description
Catalog Number:
AG019HZT
Chemical Name:
N,N-diethyl-3-isothiocyanato-4-methylbenzene-1-sulfonamide
CAS Number:
878218-43-0
Molecular Formula:
C12H16N2O2S2
Molecular Weight:
284.3976
MDL Number:
MFCD06654921
IUPAC Name:
N,N-diethyl-3-isothiocyanato-4-methylbenzenesulfonamide
InChI:
InChI=1S/C12H16N2O2S2/c1-4-14(5-2)18(15,16)11-7-6-10(3)12(8-11)13-9-17/h6-8H,4-5H2,1-3H3
InChI Key:
JOVGKZWHXZOCKO-UHFFFAOYSA-N
SMILES:
S=C=Nc1cc(ccc1C)S(=O)(=O)N(CC)CC
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.392g/mol
Monoisotopic Mass:
284.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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