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1351632-54-6 | N-Methyl-N-[4-(methylsulfonyl)-1,3-benzothiazol-2-yl]glycine
CAS No: 1351632-54-6 Catalog No: AG01APOY MDL No:MFCD21091839
Product Description
Catalog Number:
AG01APOY
Chemical Name:
N-Methyl-N-[4-(methylsulfonyl)-1,3-benzothiazol-2-yl]glycine
CAS Number:
1351632-54-6
Molecular Formula:
C11H12N2O4S2
Molecular Weight:
300.3540
MDL Number:
MFCD21091839
IUPAC Name:
2-[methyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]acetic acid
InChI:
InChI=1S/C11H12N2O4S2/c1-13(6-9(14)15)11-12-10-7(18-11)4-3-5-8(10)19(2,16)17/h3-5H,6H2,1-2H3,(H,14,15)
InChI Key:
VKEFLERFAUNWNL-UHFFFAOYSA-N
SMILES:
OC(=O)CN(c1sc2c(n1)c(ccc2)S(=O)(=O)C)C
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.347g/mol
Monoisotopic Mass:
300.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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