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13677-17-3 | 4H-1,3-Thiazin-2-amine, N-butyl-5,6-dihydro-
CAS No: 13677-17-3 Catalog No: AG0012CE MDL No:MFCD03950783
Product Description
Catalog Number:
AG0012CE
Chemical Name:
4H-1,3-Thiazin-2-amine, N-butyl-5,6-dihydro-
CAS Number:
13677-17-3
Molecular Formula:
C8H16N2S
Molecular Weight:
172.2910
MDL Number:
MFCD03950783
IUPAC Name:
N-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
InChI:
InChI=1S/C8H16N2S/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3,(H,9,10)
InChI Key:
VJGAOKNEAWCDSK-UHFFFAOYSA-N
SMILES:
CCCCNC1=NCCCS1
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.103g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.29g/mol
Monoisotopic Mass:
172.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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