Name: Name:2-(isoquinolin-1-ylsulfanyl)acetic acid
Brand: Angene
SKU: AG01A0OB
Rating: 90 (10 reviews)

2-(isoquinolin-1-ylsulfanyl)acetic acid

CAS No.:

7521-25-7

Catalog Number:

AG01A0OB

Molecular Formula:

C11H9NO2S

Molecular Weight:

219.2597

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Product Description

Catalog Number:

AG01A0OB

Chemical Name:

2-(isoquinolin-1-ylsulfanyl)acetic acid

CAS Number:

7521-25-7

Molecular Formula:

C11H9NO2S

Molecular Weight:

219.2597

MDL Number:

MFCD00721458

IUPAC Name:

2-isoquinolin-1-ylsulfanylacetic acid

InChI:

InChI=1S/C11H9NO2S/c13-10(14)7-15-11-9-4-2-1-3-8(9)5-6-12-11/h1-6H,7H2,(H,13,14)

InChI Key:

PISYQRRSPUEVQL-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nccc2c1cccc2

Properties

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.258g/mol

Monoisotopic Mass:

219.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

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