Name: Name:9-imino-10-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanyl-8-azaspiro[4.5]dec-6-ene-6-carbonitrile
Brand: Angene
SKU: AG019O4X
Rating: 90 (10 reviews)

9-imino-10-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanyl-8-azaspiro[4.5]dec-6-ene-6-carbonitrile

CAS No.:

852400-06-7

Catalog Number:

AG019O4X

Molecular Formula:

C19H18N4S2

Molecular Weight:

366.5030

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Product Description

Catalog Number:

AG019O4X

Chemical Name:

9-imino-10-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanyl-8-azaspiro[4.5]dec-6-ene-6-carbonitrile

CAS Number:

852400-06-7

Molecular Formula:

C19H18N4S2

Molecular Weight:

366.5030

MDL Number:

MFCD06655495

IUPAC Name:

7-amino-6-(4-phenyl-1,3-thiazol-2-yl)-9-sulfanyl-8-azaspiro[4.5]deca-7,9-diene-10-carbonitrile

InChI:

InChI=1S/C19H18N4S2/c20-10-13-17(24)23-16(21)15(19(13)8-4-5-9-19)18-22-14(11-25-18)12-6-2-1-3-7-12/h1-3,6-7,11,15,24H,4-5,8-9H2,(H2,21,23)

InChI Key:

ITGCAGDQPZTYNC-UHFFFAOYSA-N

SMILES:

N#CC1=C(S)NC(=N)C(C21CCCC2)c1scc(n1)c1ccccc1

Properties

Complexity:

635

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

366.097g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

366.501g/mol

Monoisotopic Mass:

366.097g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

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