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423740-66-3 | 2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)ethanol
CAS No: 423740-66-3 Catalog No: AG018WS4 MDL No:
Product Description
Catalog Number:
AG018WS4
Chemical Name:
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)ethanol
CAS Number:
423740-66-3
Molecular Formula:
C10H9N3OS2
Molecular Weight:
251.3280
IUPAC Name:
2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanol
InChI:
InChI=1S/C10H9N3OS2/c14-5-6-15-9-11-12-10-13(9)7-3-1-2-4-8(7)16-10/h1-4,14H,5-6H2
InChI Key:
DFQOZENOHDTLHL-UHFFFAOYSA-N
SMILES:
OCCSc1nnc2n1c1ccccc1s2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.322g/mol
Monoisotopic Mass:
251.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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