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100253-53-0 | 4H-1,3-Thiazin-2-amine, N-(4-ethoxyphenyl)-5,6-dihydro-
CAS No: 100253-53-0 Catalog No: AG0001E9 MDL No:MFCD03152758
Product Description
Catalog Number:
AG0001E9
Chemical Name:
4H-1,3-Thiazin-2-amine, N-(4-ethoxyphenyl)-5,6-dihydro-
CAS Number:
100253-53-0
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
MDL Number:
MFCD03152758
IUPAC Name:
N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
InChI:
InChI=1S/C12H16N2OS/c1-2-15-11-6-4-10(5-7-11)14-12-13-8-3-9-16-12/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChI Key:
GUTMGLXKZQVYEY-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC1=NCCCS1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.333g/mol
Monoisotopic Mass:
236.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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