Name: Name:3H-1,2,4-Triazole-3-thione,4-amino-5-[(4-fluorophenyl)methyl]-2,4-dihydro-
Brand: Angene
SKU: AG00HXV8
Rating: 90 (10 reviews)

3H-1,2,4-Triazole-3-thione,4-amino-5-[(4-fluorophenyl)methyl]-2,4-dihydro-

CAS No.:

151297-84-6

Catalog Number:

AG00HXV8

Molecular Formula:

C9H9FN4S

Molecular Weight:

224.2580

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Purity

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Product Description

Catalog Number:

AG00HXV8

Chemical Name:

3H-1,2,4-Triazole-3-thione,4-amino-5-[(4-fluorophenyl)methyl]-2,4-dihydro-

CAS Number:

151297-84-6

Molecular Formula:

C9H9FN4S

Molecular Weight:

224.2580

MDL Number:

MFCD06655278

IUPAC Name:

4-amino-3-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C9H9FN4S/c10-7-3-1-6(2-4-7)5-8-12-13-9(15)14(8)11/h1-4H,5,11H2,(H,13,15)

InChI Key:

JZYRRNALZBYGTM-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)Cc1nnc(n1N)S

Properties

Complexity:

286

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.053g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.257g/mol

Monoisotopic Mass:

224.053g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

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