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7151-78-2 | 5H-Pyrimido[4,5-b][1,4]thiazin-6-ol
CAS No: 7151-78-2 Catalog No: AG00662K MDL No:
Product Description
Catalog Number:
AG00662K
Chemical Name:
5H-Pyrimido[4,5-b][1,4]thiazin-6-ol
CAS Number:
7151-78-2
Molecular Formula:
C6H5N3OS
Molecular Weight:
167.1884
IUPAC Name:
5H-pyrimido[4,5-b][1,4]thiazin-6-ol
InChI:
InChI=1S/C6H5N3OS/c10-5-2-11-6-4(9-5)1-7-3-8-6/h1-3,9-10H
InChI Key:
AAZQVGVMOIHDHJ-UHFFFAOYSA-N
SMILES:
OC1=CSc2c(N1)cncn2
NSC Number:
70315
Properties
Complexity:
185
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:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.186g/mol
Monoisotopic Mass:
167.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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