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90997-78-7 | 7H-Thiazolo[3,2-b][1,2,4]triazin-7-one, 2,3-dihydro-3-methylene-
CAS No: 90997-78-7 Catalog No: AG006FRL MDL No:
Product Description
Catalog Number:
AG006FRL
Chemical Name:
7H-Thiazolo[3,2-b][1,2,4]triazin-7-one, 2,3-dihydro-3-methylene-
CAS Number:
90997-78-7
Molecular Formula:
C6H5N3OS
Molecular Weight:
167.1884
IUPAC Name:
3-methylidene-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
InChI:
InChI=1S/C6H5N3OS/c1-4-3-11-6-8-5(10)2-7-9(4)6/h2H,1,3H2
InChI Key:
MWQLCLNBRHUFJE-UHFFFAOYSA-N
SMILES:
C=C1CSc2n1ncc(=O)n2
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.186g/mol
Monoisotopic Mass:
167.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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