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261-90-5 | 5H-Pyrido[3,4-b][1,4]benzothiazine
CAS No: 261-90-5 Catalog No: AG002ROL MDL No:
Product Description
Catalog Number:
AG002ROL
Chemical Name:
5H-Pyrido[3,4-b][1,4]benzothiazine
CAS Number:
261-90-5
Molecular Formula:
C11H8N2S
Molecular Weight:
200.2596
IUPAC Name:
5H-pyrido[3,4-b][1,4]benzothiazine
InChI:
InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)13-9-5-6-12-7-11(9)14-10/h1-7,13H
InChI Key:
JAALLZGVBSLANN-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)Sc1c(N2)ccnc1
NSC Number:
155698
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.259g/mol
Monoisotopic Mass:
200.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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