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Home > Other Building Blocks > 89217-65-2
89217-65-2 | 9H-Xanthen-9-one, 2-[(2-hydroxyethyl)thio]-6-(1H-tetrazol-5-yl)-
CAS No: 89217-65-2 Catalog No: AG0044PQ MDL No:
Product Description
Catalog Number:
AG0044PQ
Chemical Name:
9H-Xanthen-9-one, 2-[(2-hydroxyethyl)thio]-6-(1H-tetrazol-5-yl)-
CAS Number:
89217-65-2
Molecular Formula:
C16H12N4O3S
Molecular Weight:
340.3565
IUPAC Name:
2-(2-hydroxyethylsulfanyl)-6-(2H-tetrazol-5-yl)xanthen-9-one
InChI:
InChI=1S/C16H12N4O3S/c21-5-6-24-10-2-4-13-12(8-10)15(22)11-3-1-9(7-14(11)23-13)16-17-19-20-18-16/h1-4,7-8,21H,5-6H2,(H,17,18,19,20)
InChI Key:
ILBIRWRFNBQMOV-UHFFFAOYSA-N
SMILES:
OCCSc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)c1nnn[nH]1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.063g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.357g/mol
Monoisotopic Mass:
340.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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