Name: Name:4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01A0RQ
Rating: 90 (10 reviews)

4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

366007-57-0

Catalog Number:

AG01A0RQ

Molecular Formula:

C11H10N6S

Molecular Weight:

258.3023

Catalog Number:

AG01A0RQ

Chemical Name:

4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

366007-57-0

Molecular Formula:

C11H10N6S

Molecular Weight:

258.3023

MDL Number:

MFCD07364356

IUPAC Name:

4-amino-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C11H10N6S/c12-17-10(15-16-11(17)18)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14)(H,16,18)

InChI Key:

UUEYIWCAVXLFIK-UHFFFAOYSA-N

SMILES:

Nn1c(S)nnc1c1[nH]nc(c1)c1ccccc1

Complexity:

365

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.303g/mol

Monoisotopic Mass:

258.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

114A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2