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Home > Thiazole > 1352999-41-7
1352999-41-7 | N-Methyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]glycine
CAS No: 1352999-41-7 Catalog No: AG01APN6 MDL No:MFCD21091838
Product Description
Catalog Number:
AG01APN6
Chemical Name:
N-Methyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]glycine
CAS Number:
1352999-41-7
Molecular Formula:
C11H12N2O2S2
Molecular Weight:
268.3552
MDL Number:
MFCD21091838
IUPAC Name:
2-[methyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]acetic acid
InChI:
InChI=1S/C11H12N2O2S2/c1-13(6-9(14)15)11-12-10-7(16-2)4-3-5-8(10)17-11/h3-5H,6H2,1-2H3,(H,14,15)
InChI Key:
LDNUUBXOIOBRMC-UHFFFAOYSA-N
SMILES:
CSc1cccc2c1nc(s2)N(CC(=O)O)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.349g/mol
Monoisotopic Mass:
268.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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