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30165-96-9 | 3-Chloro-4-Morpholino-1,2,5-Thiadiazole
CAS No: 30165-96-9 Catalog No: AG0033NX MDL No:MFCD00274160
Product Description
Catalog Number:
AG0033NX
Chemical Name:
3-Chloro-4-Morpholino-1,2,5-Thiadiazole
CAS Number:
30165-96-9
Molecular Formula:
C6H8ClN3OS
Molecular Weight:
205.6652
MDL Number:
MFCD00274160
IUPAC Name:
4-(4-chloro-1,2,5-thiadiazol-3-yl)morpholine
InChI:
InChI=1S/C6H8ClN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2
InChI Key:
LAUCCQWGVCJGFT-UHFFFAOYSA-N
SMILES:
Clc1nsnc1N1CCOCC1
EC Number:
250-077-1
UNII:
M15N21L9HT
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.66g/mol
Monoisotopic Mass:
205.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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