Name: Name:5-(morpholin-4-yl)-4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01A88R
Rating: 90 (10 reviews)

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

CAS No.:

1221724-02-2

Catalog Number:

AG01A88R

Molecular Formula:

C8H11F3N4OS

Molecular Weight:

268.2593

Catalog Number:

AG01A88R

Chemical Name:

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

CAS Number:

1221724-02-2

Molecular Formula:

C8H11F3N4OS

Molecular Weight:

268.2593

MDL Number:

MFCD26143892

IUPAC Name:

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

InChI:

InChI=1S/C8H11F3N4OS/c9-8(10,11)5-15-6(12-13-7(15)17)14-1-3-16-4-2-14/h1-5H2,(H,13,17)

InChI Key:

MNGPUZWMHAEQNH-UHFFFAOYSA-N

SMILES:

FC(Cn1c(nnc1S)N1CCOCC1)(F)F

Complexity:

340

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.258g/mol

Monoisotopic Mass:

268.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7