CAS 28856-92-0 | Acetic acid, 2-(2-pyridinylthio)-, ethyl ester | CAS Number 28856-92-0

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28856-92-0 | Acetic acid, 2-(2-pyridinylthio)-, ethyl ester

CAS No: 28856-92-0 Catalog No: AG002WU8 MDL No:MFCD01197948

Product Description

Catalog Number:

AG002WU8

Chemical Name:

Acetic acid, 2-(2-pyridinylthio)-, ethyl ester

CAS Number:

28856-92-0

Molecular Formula:

C9H11NO2S

Molecular Weight:

197.2541

MDL Number:

MFCD01197948

IUPAC Name:

ethyl 2-pyridin-2-ylsulfanylacetate

InChI:

InChI=1S/C9H11NO2S/c1-2-12-9(11)7-13-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3

InChI Key:

HSXSCFBUTNCJFR-UHFFFAOYSA-N

SMILES:

CCOC(=O)CSc1ccccn1

Properties

Complexity:

164

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.252g/mol

Monoisotopic Mass:

197.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

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