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13752-51-7 | 4-Morpholinecarbodithioic acid, 4-morpholinyl ester
CAS No: 13752-51-7 Catalog No: AG0013HD MDL No:
Product Description
Catalog Number:
AG0013HD
Chemical Name:
4-Morpholinecarbodithioic acid, 4-morpholinyl ester
CAS Number:
13752-51-7
Molecular Formula:
C9H16N2O2S2
Molecular Weight:
248.3655
IUPAC Name:
morpholin-4-yl morpholine-4-carbodithioate
InChI:
InChI=1S/C9H16N2O2S2/c14-9(10-1-5-12-6-2-10)15-11-3-7-13-8-4-11/h1-8H2
InChI Key:
HOEFWOBLOGZQIQ-UHFFFAOYSA-N
SMILES:
S=C(N1CCOCC1)SN1CCOCC1
EC Number:
237-335-9
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.359g/mol
Monoisotopic Mass:
248.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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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