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83989-90-6 | 3-Quinolinecarbonitrile, 4-(2-furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-
CAS No: 83989-90-6 Catalog No: AG00523A MDL No:MFCD03969521
Product Description
Catalog Number:
AG00523A
Chemical Name:
3-Quinolinecarbonitrile, 4-(2-furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-
CAS Number:
83989-90-6
Molecular Formula:
C14H12N2OS
Molecular Weight:
256.3229
MDL Number:
MFCD03969521
IUPAC Name:
4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
InChI:
InChI=1S/C14H12N2OS/c15-8-10-13(12-6-3-7-17-12)9-4-1-2-5-11(9)16-14(10)18/h3,6-7H,1-2,4-5H2,(H,16,18)
InChI Key:
MTTDRMWFWJDYJL-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]c2c(c1c1ccco1)CCCC2
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.323g/mol
Monoisotopic Mass:
256.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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