Name: Name:1H-1,2,4-Triazole, 5-[[(4-methoxyphenyl)methyl]thio]-
Brand: Angene
SKU: AG001Z1L
Rating: 90 (10 reviews)

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

CAS No.:

17357-75-4

Catalog Number:

AG001Z1L

Molecular Formula:

C10H11N3OS

Molecular Weight:

221.2788

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1 week

United States

$669

- +

1 week

United States

$2873

- +

10g

1 week

United States

$4574

- +

25g

1 week

United States

$7975

- +

Product Description

Catalog Number:

AG001Z1L

Chemical Name:

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

CAS Number:

17357-75-4

Molecular Formula:

C10H11N3OS

Molecular Weight:

221.2788

MDL Number:

MFCD01211112

IUPAC Name:

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

InChI:

InChI=1S/C10H11N3OS/c1-14-9-4-2-8(3-5-9)6-15-10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)

InChI Key:

KFYAPEBBSZVGIF-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)CSc1ncn[nH]1

Properties

Complexity:

186

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.278g/mol

Monoisotopic Mass:

221.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Synthesis and antimycobacterial activity of 1,2,4-triazole 3-benzylsulfanyl derivatives.	Farmaco (Societa chimica italiana : 1989) 20040401

Properties