4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-,monosodium salt, (S)-


Chemical Name: 4-Thiazolecarboxylic acid, 4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-,monosodium salt, (S)-
CAS Number: 103404-75-7
Product Number: AG00381R(AGN-PC-0OSDER)
Synonyms:
MDL No:
Molecular Formula: C11H7N2NaO3S2
Molecular Weight: 302.3047

Identification/Properties


Computed Properties
Molecular Weight:
302.298g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
301.98g/mol
Monoisotopic Mass:
301.98g/mol
Topological Polar Surface Area:
139A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
396
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H320-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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