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Home > Other Heterocycles > 5955-39-5
5955-39-5 | 3-phenyl-1,4-diazaspiro[4.4]non-3-ene-2-thione
CAS No: 5955-39-5 Catalog No: AG00IAKG MDL No:MFCD14735619
Product Description
Catalog Number:
AG00IAKG
Chemical Name:
3-phenyl-1,4-diazaspiro[4.4]non-3-ene-2-thione
CAS Number:
5955-39-5
Molecular Formula:
C13H14N2S
Molecular Weight:
230.3287
MDL Number:
MFCD14735619
IUPAC Name:
3-phenyl-1,4-diazaspiro[4.4]non-3-ene-2-thione
InChI:
InChI=1S/C13H14N2S/c16-12-11(10-6-2-1-3-7-10)14-13(15-12)8-4-5-9-13/h1-3,6-7H,4-5,8-9H2,(H,15,16)
InChI Key:
QJHLSXXGFICROR-UHFFFAOYSA-N
SMILES:
S=C1NC2(N=C1c1ccccc1)CCCC2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.329g/mol
Monoisotopic Mass:
230.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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