Name: Name:4-amino-5-(4-tert-butylphenoxymethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019JX3
Rating: 90 (10 reviews)

4-amino-5-(4-tert-butylphenoxymethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

496784-99-7

Catalog Number:

AG019JX3

Molecular Formula:

C13H18N4OS

Molecular Weight:

278.3732

Catalog Number:

AG019JX3

Chemical Name:

4-amino-5-(4-tert-butylphenoxymethyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

496784-99-7

Molecular Formula:

C13H18N4OS

Molecular Weight:

278.3732

MDL Number:

MFCD03197076

IUPAC Name:

4-amino-3-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C13H18N4OS/c1-13(2,3)9-4-6-10(7-5-9)18-8-11-15-16-12(19)17(11)14/h4-7H,8,14H2,1-3H3,(H,16,19)

InChI Key:

SMZUXYWGELHKIX-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)OCc1nnc(n1N)S)(C)C

Complexity:

369

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.374g/mol

Monoisotopic Mass:

278.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6