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64047-46-7 | 4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide
CAS No: 64047-46-7 Catalog No: AG00JBZR MDL No:MFCD01716879
Product Description
Catalog Number:
AG00JBZR
Chemical Name:
4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide
CAS Number:
64047-46-7
Molecular Formula:
C11H8N4O2S2
Molecular Weight:
292.3368
MDL Number:
MFCD01716879
IUPAC Name:
4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide
InChI:
InChI=1S/C11H8N4O2S2/c16-19(17,15-11-12-6-1-7-13-11)10-4-2-9(3-5-10)14-8-18/h1-7H,(H,12,13,15)
InChI Key:
HZRFQEQYOQGXDQ-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
NSC Number:
403393
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.009g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.331g/mol
Monoisotopic Mass:
292.009g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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