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103404-75-7

103404-75-7 | Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate

CAS No: 103404-75-7 Catalog No: AG00381R MDL No:MFCD00044938

Product Description

Catalog Number:
AG00381R
Chemical Name:
Sodium (S)-2-(6-hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylate
CAS Number:
103404-75-7
Molecular Formula:
C11H7N2NaO3S2
Molecular Weight:
302.3047
MDL Number:
MFCD00044938
IUPAC Name:
sodium;(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C11H8N2O3S2.Na/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16;/h1-3,7,14H,4H2,(H,15,16);/q;+1/p-1/t7-;/m1./s1
InChI Key:
LILQLBIQROYWIA-OGFXRTJISA-M
SMILES:
[O-]C(=O)[C@H]1CSC(=N1)c1nc2c(s1)cc(cc2)O.[Na+]
EC Number:
600-430-4

Properties

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

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