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17002-50-5 | 4(5H)-Thiazolone, 2-(6-hydroxy-2-benzothiazolyl)-
CAS No: 17002-50-5 Catalog No: AG007903 MDL No:
Product Description
Catalog Number:
AG007903
Chemical Name:
4(5H)-Thiazolone, 2-(6-hydroxy-2-benzothiazolyl)-
CAS Number:
17002-50-5
Molecular Formula:
C10H6N2O2S2
Molecular Weight:
250.2968
IUPAC Name:
2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4-one
InChI:
InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2
InChI Key:
JJVOROULKOMTKG-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)sc(n2)C1=NC(=O)CS1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.987g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.29g/mol
Monoisotopic Mass:
249.987g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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