Name: Name:3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione
Brand: Angene
SKU: AG019KJ5
Rating: 90 (10 reviews)

3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione

CAS No.:

956571-71-4

Catalog Number:

AG019KJ5

Molecular Formula:

C11H19N3O2S

Molecular Weight:

257.3525

Catalog Number:

AG019KJ5

Chemical Name:

3-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione

CAS Number:

956571-71-4

Molecular Formula:

C11H19N3O2S

Molecular Weight:

257.3525

MDL Number:

MFCD08444662

IUPAC Name:

5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-amine

InChI:

InChI=1S/C11H19N3O2S/c1-11(2,3)9-6-10(12)14(13-9)8-4-5-17(15,16)7-8/h6,8H,4-5,7,12H2,1-3H3

InChI Key:

WQFAYWXQQKDDJF-UHFFFAOYSA-N

SMILES:

Nc1cc(nn1C1CCS(=O)(=O)C1)C(C)(C)C

Complexity:

383

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.12g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.352g/mol

Monoisotopic Mass:

257.12g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1