Name: Name:3-[(4-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE
Brand: Angene
SKU: AG003IRJ
Rating: 90 (10 reviews)

3-[(4-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE

CAS No.:

338393-13-8

Catalog Number:

AG003IRJ

Molecular Formula:

C10H11N3O2S

Molecular Weight:

237.2782

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Product Description

Catalog Number:

AG003IRJ

Chemical Name:

3-[(4-METHYLBENZYL)SULFONYL]-1H-1,2,4-TRIAZOLE

CAS Number:

338393-13-8

Molecular Formula:

C10H11N3O2S

Molecular Weight:

237.2782

MDL Number:

MFCD01568307

IUPAC Name:

5-[(4-methylphenyl)methylsulfonyl]-1H-1,2,4-triazole

InChI:

InChI=1S/C10H11N3O2S/c1-8-2-4-9(5-3-8)6-16(14,15)10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)

InChI Key:

YYQTWXHTIYSIRV-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)CS(=O)(=O)c1n[nH]cn1

Properties

Complexity:

317

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.277g/mol

Monoisotopic Mass:

237.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

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
Synthesis and antimycobacterial activity of 1,2,4-triazole 3-benzylsulfanyl derivatives.	Farmaco (Societa chimica italiana : 1989) 20040401

Properties