Home Other Building Blocks methyl 4-[imino(methyl)oxo-lambda6-sulfanyl]benzoate

methyl 4-[imino(methyl)oxo-lambda6-sulfanyl]benzoate

CAS No.:
1147096-51-2
Catalog Number:
AG01AFG8
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
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Product Description
Catalog Number:
AG01AFG8
Chemical Name:
methyl 4-[imino(methyl)oxo-lambda6-sulfanyl]benzoate
CAS Number:
1147096-51-2
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD25955873
IUPAC Name:
methyl 4-(methylsulfonimidoyl)benzoate
InChI:
InChI=1S/C9H11NO3S/c1-13-9(11)7-3-5-8(6-4-7)14(2,10)12/h3-6,10H,1-2H3
InChI Key:
HLJCURWEBARIDO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)S(=O)(=N)C
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties