Name: Name:4-(3-fluorophenyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019M3B
Rating: 90 (10 reviews)

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

CAS No.:

847744-12-1

Catalog Number:

AG019M3B

Molecular Formula:

C12H13FN4OS

Molecular Weight:

280.3212

Catalog Number:

AG019M3B

Chemical Name:

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

CAS Number:

847744-12-1

Molecular Formula:

C12H13FN4OS

Molecular Weight:

280.3212

MDL Number:

MFCD07324807

IUPAC Name:

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

InChI:

InChI=1S/C12H13FN4OS/c13-9-2-1-3-10(8-9)17-11(14-15-12(17)19)16-4-6-18-7-5-16/h1-3,8H,4-7H2,(H,15,19)

InChI Key:

UMDIZVPHRYNVGG-UHFFFAOYSA-N

SMILES:

Fc1cccc(c1)n1c(S)nnc1N1CCOCC1

Complexity:

386

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.321g/mol

Monoisotopic Mass:

280.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3