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Home > Other Heterocycles > 39263-80-4
39263-80-4 | 1,2,4-Triazaspiro[4.4]nonane-3-thione, 2-phenyl-
CAS No: 39263-80-4 Catalog No: AG0075WU MDL No:
Product Description
Catalog Number:
AG0075WU
Chemical Name:
1,2,4-Triazaspiro[4.4]nonane-3-thione, 2-phenyl-
CAS Number:
39263-80-4
Molecular Formula:
C12H15N3S
Molecular Weight:
233.3326
IUPAC Name:
2-phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione
InChI:
InChI=1S/C12H15N3S/c16-11-13-12(8-4-5-9-12)14-15(11)10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2,(H,13,16)
InChI Key:
YOVKZKLGVGKTHH-UHFFFAOYSA-N
SMILES:
S=C1NC2(NN1c1ccccc1)CCCC2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.333g/mol
Monoisotopic Mass:
233.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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