Name: Name:2-{[1-(2,2,2-trifluoroethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01A9B8
Rating: 90 (10 reviews)

2-{[1-(2,2,2-trifluoroethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid

CAS No.:

1038303-87-5

Catalog Number:

AG01A9B8

Molecular Formula:

C5H5F3N4O2S

Molecular Weight:

242.1790

Catalog Number:

AG01A9B8

Chemical Name:

2-{[1-(2,2,2-trifluoroethyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetic acid

CAS Number:

1038303-87-5

Molecular Formula:

C5H5F3N4O2S

Molecular Weight:

242.1790

MDL Number:

MFCD11202805

IUPAC Name:

2-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]sulfanylacetic acid

InChI:

InChI=1S/C5H5F3N4O2S/c6-5(7,8)2-12-4(9-10-11-12)15-1-3(13)14/h1-2H2,(H,13,14)

InChI Key:

QLBMSNXJPBADAI-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnnn1CC(F)(F)F

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

242.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

242.176g/mol

Monoisotopic Mass:

242.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1