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Home > Sulfanilamide > 887833-54-7
887833-54-7 | 4-isothiocyanato-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CAS No: 887833-54-7 Catalog No: AG00JD0E MDL No:MFCD08282680
Product Description
Catalog Number:
AG00JD0E
Chemical Name:
4-isothiocyanato-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CAS Number:
887833-54-7
Molecular Formula:
C12H10N4O3S2
Molecular Weight:
322.3628
MDL Number:
MFCD08282680
IUPAC Name:
4-isothiocyanato-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
InChI:
InChI=1S/C12H10N4O3S2/c1-19-12-11(13-6-7-14-12)16-21(17,18)10-4-2-9(3-5-10)15-8-20/h2-7H,1H3,(H,13,16)
InChI Key:
MWDUVPKYEZTTAE-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)Nc1nccnc1OC
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.019g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.357g/mol
Monoisotopic Mass:
322.019g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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