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35765-46-9 | 2H-Pyrimido[4,5-b][1,4]thiazine
CAS No: 35765-46-9 Catalog No: AG00798P MDL No:
Product Description
Catalog Number:
AG00798P
Chemical Name:
2H-Pyrimido[4,5-b][1,4]thiazine
CAS Number:
35765-46-9
Molecular Formula:
C6H5N3S
Molecular Weight:
151.1890
IUPAC Name:
2H-pyrimido[4,5-b][1,4]thiazine
InChI:
InChI=1S/C6H5N3S/c1-2-10-6-5(8-1)3-7-4-9-6/h1-3H,4H2
InChI Key:
JIRQFTMIWPHLEU-UHFFFAOYSA-N
SMILES:
C1N=CC2=NC=CSC2=N1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.187g/mol
Monoisotopic Mass:
151.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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