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147123-50-0 | Thieno[3,2-d]-1,2,3-triazin-4(3H)-one
CAS No: 147123-50-0 Catalog No: AG001EMW MDL No:
Product Description
Catalog Number:
AG001EMW
Chemical Name:
Thieno[3,2-d]-1,2,3-triazin-4(3H)-one
CAS Number:
147123-50-0
Molecular Formula:
C5H3N3OS
Molecular Weight:
153.1618
IUPAC Name:
3H-thieno[3,2-d]triazin-4-one
InChI:
InChI=1S/C5H3N3OS/c9-5-4-3(1-2-10-4)6-8-7-5/h1-2H,(H,6,7,9)
InChI Key:
NULNBFIXDHVBQB-UHFFFAOYSA-N
SMILES:
O=c1[nH]nnc2c1scc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
153.159g/mol
Monoisotopic Mass:
153g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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