Name: Name:3-Quinolinecarbonitrile, 1,2,5,6,7,8-hexahydro-2-thioxo-
Brand: Angene
SKU: AG00822I
Rating: 90 (10 reviews)

3-Quinolinecarbonitrile, 1,2,5,6,7,8-hexahydro-2-thioxo-

CAS No.:

112629-69-3

Catalog Number:

AG00822I

Molecular Formula:

C10H10N2S

Molecular Weight:

190.2648

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00822I

Chemical Name:

3-Quinolinecarbonitrile, 1,2,5,6,7,8-hexahydro-2-thioxo-

CAS Number:

112629-69-3

Molecular Formula:

C10H10N2S

Molecular Weight:

190.2648

MDL Number:

MFCD02656569

IUPAC Name:

2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

InChI:

InChI=1S/C10H10N2S/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4H2,(H,12,13)

InChI Key:

IAUSXQDCCZQHQE-UHFFFAOYSA-N

SMILES:

N#Cc1cc2CCCCc2[nH]c1=S

Properties

Complexity:

368

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.264g/mol

Monoisotopic Mass:

190.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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