Name: Name:1H-1,2,4-Triazole, 5-[[(3-methylphenyl)methyl]thio]-
Brand: Angene
SKU: AG003166
Rating: 90 (10 reviews)

1H-1,2,4-Triazole, 5-[[(3-methylphenyl)methyl]thio]-

CAS No.:

307545-27-3

Catalog Number:

AG003166

Molecular Formula:

C10H11N3S

Molecular Weight:

205.2794

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Product Description

Catalog Number:

AG003166

Chemical Name:

1H-1,2,4-Triazole, 5-[[(3-methylphenyl)methyl]thio]-

CAS Number:

307545-27-3

Molecular Formula:

C10H11N3S

Molecular Weight:

205.2794

MDL Number:

MFCD01568454

IUPAC Name:

5-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole

InChI:

InChI=1S/C10H11N3S/c1-8-3-2-4-9(5-8)6-14-10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)

InChI Key:

SNOLZXFLVLBGMX-UHFFFAOYSA-N

SMILES:

Cc1cccc(c1)CSc1ncn[nH]1

Properties

Complexity:

177

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.279g/mol

Monoisotopic Mass:

205.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

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

Properties