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338393-13-8 | 3-((4-Methylbenzyl);sulfonyl);-1H-1,2,4-triazole
CAS No: 338393-13-8 Catalog No: AG003IRJ MDL No:MFCD01568307
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:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.277g/mol
Monoisotopic Mass:
237.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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 |
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