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203660-01-9 | (10H-benzo[b]pyrazino[2,3-e][1,4]thiazin-8-yl)methanol
CAS No: 203660-01-9 Catalog No: AG01DKG4 MDL No:MFCD20270373
Product Description
Catalog Number:
AG01DKG4
Chemical Name:
(10H-benzo[b]pyrazino[2,3-e][1,4]thiazin-8-yl)methanol
CAS Number:
203660-01-9
Molecular Formula:
C11H9N3OS
Molecular Weight:
231.2737
MDL Number:
MFCD20270373
IUPAC Name:
10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethanol
InChI:
InChI=1S/C11H9N3OS/c15-6-7-1-2-9-8(5-7)14-10-11(16-9)13-4-3-12-10/h1-5,15H,6H2,(H,12,14)
InChI Key:
RBJUIMQXEMELGC-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)Nc1c(S2)nccn1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.273g/mol
Monoisotopic Mass:
231.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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