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17374-19-5 | 2H-1,3-Oxazine-2-thione, tetrahydro-4,4,6-trimethyl-
CAS No: 17374-19-5 Catalog No: AG001Z5T MDL No:MFCD00749180
Product Description
Catalog Number:
AG001Z5T
Chemical Name:
2H-1,3-Oxazine-2-thione, tetrahydro-4,4,6-trimethyl-
CAS Number:
17374-19-5
Molecular Formula:
C7H13NOS
Molecular Weight:
159.2492
MDL Number:
MFCD00749180
IUPAC Name:
4,4,6-trimethyl-1,3-oxazinane-2-thione
InChI:
InChI=1S/C7H13NOS/c1-5-4-7(2,3)8-6(10)9-5/h5H,4H2,1-3H3,(H,8,10)
InChI Key:
JYHGFCBHXIDYOU-UHFFFAOYSA-N
SMILES:
CC1OC(=S)NC(C1)(C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.072g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.247g/mol
Monoisotopic Mass:
159.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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