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Home > Boronic Acids > 957060-78-5
957060-78-5 | 2-(4-Boronobenzoyl-N-methylhydrazinecarbothioamide
CAS No: 957060-78-5 Catalog No: AG003EUW MDL No:MFCD09027245
Product Description
Catalog Number:
AG003EUW
Chemical Name:
2-(4-Boronobenzoyl-N-methylhydrazinecarbothioamide
CAS Number:
957060-78-5
Molecular Formula:
C9H12BN3O3S
Molecular Weight:
253.0859
MDL Number:
MFCD09027245
IUPAC Name:
[4-[(methylcarbamothioylamino)carbamoyl]phenyl]boronic acid
InChI:
InChI=1S/C9H12BN3O3S/c1-11-9(17)13-12-8(14)6-2-4-7(5-3-6)10(15)16/h2-5,15-16H,1H3,(H,12,14)(H2,11,13,17)
InChI Key:
CLSXNKYLPSMHPY-UHFFFAOYSA-N
SMILES:
CNC(=S)NNC(=O)c1ccc(cc1)B(O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
253.083g/mol
Monoisotopic Mass:
253.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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