Name: Name:4-amino-5-(3-bromophenyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019O2S
Rating: 90 (10 reviews)

4-amino-5-(3-bromophenyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

87239-96-1

Catalog Number:

AG019O2S

Molecular Formula:

C8H7BrN4S

Molecular Weight:

271.1370

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Product Description

Catalog Number:

AG019O2S

Chemical Name:

4-amino-5-(3-bromophenyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

87239-96-1

Molecular Formula:

C8H7BrN4S

Molecular Weight:

271.1370

MDL Number:

MFCD03793450

IUPAC Name:

4-amino-3-(3-bromophenyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C8H7BrN4S/c9-6-3-1-2-5(4-6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14)

InChI Key:

GVXBYQYIFQIOCT-UHFFFAOYSA-N

SMILES:

Brc1cccc(c1)c1nnc(n1N)S

Properties

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.957g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.136g/mol

Monoisotopic Mass:

269.957g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

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

Properties