Name: Name:4-methyl-3-(phenoxymethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
Brand: Angene
SKU: AG01A0MA
Rating: 90 (10 reviews)

4-methyl-3-(phenoxymethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

CAS No.:

35687-29-7

Catalog Number:

AG01A0MA

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG01A0MA

Chemical Name:

4-methyl-3-(phenoxymethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

CAS Number:

35687-29-7

MDL Number:

MFCD02091588

IUPAC Name:

4-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

InChI:

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

InChI Key:

ILRFPLXLFVASAY-UHFFFAOYSA-N

Properties

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

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Exact Mass:

221.062g/mol

Formal Charge:

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Molecular Weight:

221.278g/mol

Monoisotopic Mass:

221.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties