4-(2-Furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-3-quinolinecarbonitrile - CAS 83989-90-6

Catalog:	BB064512
Product Name:	4-(2-Furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-3-quinolinecarbonitrile
CAS:	83989-90-6
Synonyms:	4-(2-furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile; 4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile; 4-(furan-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile; 4-(2-Furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-3-quinolinecarbonitrile; 4-(furan-2-yl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Technical Data

IUPAC Name:	4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Description:	4-(2-Furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-3-quinolinecarbonitrile is used as a reagent to synthesize condensed puridinethione carbocyclic nucleosides related to 3-deazauridine (D203240). -(2-Furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-3-quinolinecarbonitrile is also used as a reagent to synthesize condensed pyridine-2(1H)-thione derivatives.
Molecular Weight:	256.32
Molecular Formula:	C14H12N2OS
Canonical SMILES:	C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CC=CO3
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
References:	Elgemeie, G, et al. J. Chem. Soc. Farad. T. 1, No vol. given, 1285 (1994); Elgemeie, G., et al. Sulfur Lett., 8, 187 (1988).

Complexity:	509
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.06703418
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	256.06703418
Rotatable Bond Count:	1
Topological Polar Surface Area:	81Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8