Name: Name:4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01A855
Rating: 90 (10 reviews)

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

CAS No.:

1038337-22-2

Catalog Number:

AG01A855

Molecular Formula:

C4H4F3N3S

Molecular Weight:

183.1549

Catalog Number:

AG01A855

Chemical Name:

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

CAS Number:

1038337-22-2

Molecular Formula:

C4H4F3N3S

Molecular Weight:

183.1549

MDL Number:

MFCD11201338

IUPAC Name:

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

InChI:

InChI=1S/C4H4F3N3S/c5-4(6,7)1-10-2-8-9-3(10)11/h2H,1H2,(H,9,11)

InChI Key:

UJZSLGPGKBTIJD-UHFFFAOYSA-N

SMILES:

Sc1nncn1CC(F)(F)F

Complexity:

199

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.008g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.152g/mol

Monoisotopic Mass:

183.008g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1