Name: Name:3-Pyridinecarboxylicacid, 2-[(4-bromophenyl)thio]-
Brand: Angene
SKU: AG005ZRT
Rating: 90 (10 reviews)

3-Pyridinecarboxylicacid, 2-[(4-bromophenyl)thio]-

CAS No.:

955-52-2

Catalog Number:

AG005ZRT

Molecular Formula:

C12H8BrNO2S

Molecular Weight:

310.1664

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Product Description

Catalog Number:

AG005ZRT

Chemical Name:

3-Pyridinecarboxylicacid, 2-[(4-bromophenyl)thio]-

CAS Number:

955-52-2

Molecular Formula:

C12H8BrNO2S

Molecular Weight:

310.1664

MDL Number:

MFCD06340088

IUPAC Name:

2-(4-bromophenyl)sulfanylpyridine-3-carboxylic acid

InChI:

InChI=1S/C12H8BrNO2S/c13-8-3-5-9(6-4-8)17-11-10(12(15)16)2-1-7-14-11/h1-7H,(H,15,16)

InChI Key:

VEGJCWLQSIOCCF-UHFFFAOYSA-N

SMILES:

Brc1ccc(cc1)Sc1ncccc1C(=O)O

Properties

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

308.946g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.165g/mol

Monoisotopic Mass:

308.946g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

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