Name: Name:5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol
Brand: Angene
SKU: AG00DIRX
Rating: 90 (10 reviews)

5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol

CAS No.:

500112-74-3

Catalog Number:

AG00DIRX

Molecular Formula:

C11H9N3S2

Molecular Weight:

247.3393

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Product Description

Catalog Number:

AG00DIRX

Chemical Name:

5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol

CAS Number:

500112-74-3

Molecular Formula:

C11H9N3S2

Molecular Weight:

247.3393

MDL Number:

MFCD06254379

IUPAC Name:

5-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione

InChI:

InChI=1S/C11H9N3S2/c1-7-2-4-8(5-3-7)9-6-16-11-13-12-10(15)14(9)11/h2-6H,1H3,(H,12,15)

InChI Key:

LNDYWRMGFKFDTC-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)c1csc2n1c(=S)[nH]n2

Properties

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.024g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.334g/mol

Monoisotopic Mass:

247.024g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

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