Name: Name:5-(pyridin-4-yl)-4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01A7KY
Rating: 90 (10 reviews)

5-(pyridin-4-yl)-4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

1094377-03-3

Catalog Number:

AG01A7KY

Molecular Formula:

C9H7F3N4S

Molecular Weight:

260.2389

Catalog Number:

AG01A7KY

Chemical Name:

5-(pyridin-4-yl)-4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

1094377-03-3

Molecular Formula:

C9H7F3N4S

Molecular Weight:

260.2389

MDL Number:

MFCD11207291

IUPAC Name:

3-pyridin-4-yl-4-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C9H7F3N4S/c10-9(11,12)5-16-7(14-15-8(16)17)6-1-3-13-4-2-6/h1-4H,5H2,(H,15,17)

InChI Key:

KEYYGMGXSWMEMF-UHFFFAOYSA-N

SMILES:

FC(Cn1c(S)nnc1c1ccncc1)(F)F

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

260.238g/mol

Monoisotopic Mass:

260.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7