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138689-33-5 | 4-Morpholinecarbothioamide, 2,6-dimethyl-N-phenyl-
CAS No: 138689-33-5 Catalog No: AG001906 MDL No:MFCD00089525
Product Description
Catalog Number:
AG001906
Chemical Name:
4-Morpholinecarbothioamide, 2,6-dimethyl-N-phenyl-
CAS Number:
138689-33-5
Molecular Formula:
C13H18N2OS
Molecular Weight:
250.3598
MDL Number:
MFCD00089525
IUPAC Name:
2,6-dimethyl-N-phenylmorpholine-4-carbothioamide
InChI:
InChI=1S/C13H18N2OS/c1-10-8-15(9-11(2)16-10)13(17)14-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,17)
InChI Key:
ZPOVKORAGSKPKY-UHFFFAOYSA-N
SMILES:
CC1OC(C)CN(C1)C(=S)Nc1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.36g/mol
Monoisotopic Mass:
250.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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