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Home > Sulfanilamide > 99841-32-4
99841-32-4 | N-isobutyl-4-isothiocyanatobenzenesulfonamide
CAS No: 99841-32-4 Catalog No: AG00JC17 MDL No:MFCD09971969
Product Description
Catalog Number:
AG00JC17
Chemical Name:
N-isobutyl-4-isothiocyanatobenzenesulfonamide
CAS Number:
99841-32-4
Molecular Formula:
C11H14N2O2S2
Molecular Weight:
270.3711
MDL Number:
MFCD09971969
IUPAC Name:
4-isothiocyanato-N-(2-methylpropyl)benzenesulfonamide
InChI:
InChI=1S/C11H14N2O2S2/c1-9(2)7-13-17(14,15)11-5-3-10(4-6-11)12-8-16/h3-6,9,13H,7H2,1-2H3
InChI Key:
XFFZGUCGVLVLAF-UHFFFAOYSA-N
SMILES:
CC(CNS(=O)(=O)c1ccc(cc1)N=C=S)C
Properties
Complexity:
373
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:
5
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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