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Home Other Building Blocks 18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine

18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine

CAS No.:
327169-44-8
Catalog Number:
AG019H2S
Molecular Formula:
C15H19N3S
Molecular Weight:
273.3965
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Product Description
Catalog Number:
AG019H2S
Chemical Name:
18-thia-2,9-diazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,12(17)-trien-10-imine
CAS Number:
327169-44-8
Molecular Formula:
C15H19N3S
Molecular Weight:
273.3965
MDL Number:
MFCD00470004
IUPAC Name:
18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-imine
InChI:
InChI=1S/C15H19N3S/c16-14-13-10-6-3-4-7-11(10)19-15(13)17-12-8-2-1-5-9-18(12)14/h16H,1-9H2
InChI Key:
XPQWMGWXYPBSTH-UHFFFAOYSA-N
SMILES:
N=c1c2c(sc3c2CCCC3)nc2n1CCCCC2
Properties
Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.13g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.398g/mol
Monoisotopic Mass:
273.13g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
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
Properties