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Home > Other Heterocycles > 4602-36-2
4602-36-2 | 3-phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CAS No: 4602-36-2 Catalog No: AG00I8JZ MDL No:MFCD02311198
Product Description
Catalog Number:
AG00I8JZ
Chemical Name:
3-phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione
CAS Number:
4602-36-2
Molecular Formula:
C14H16N2S
Molecular Weight:
244.3552
MDL Number:
MFCD02311198
IUPAC Name:
3-phenyl-1,4-diazaspiro[4.5]dec-3-ene-2-thione
InChI:
InChI=1S/C14H16N2S/c17-13-12(11-7-3-1-4-8-11)15-14(16-13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,17)
InChI Key:
QFNMCEHDUIVPLO-UHFFFAOYSA-N
SMILES:
S=C1NC2(N=C1c1ccccc1)CCCCC2
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.356g/mol
Monoisotopic Mass:
244.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| 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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