1,2-Benzisothiazol-3(2H)-one,2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]-2-butyn-1-yl]-,1,1-dioxide

Catalog Number

ACM135704993

Product Name

1,2-Benzisothiazol-3(2H)-one,2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]-2-butyn-1-yl]-,1,1-dioxide

CAS

135704-99-3

Category

Heterocyclic Organic Compound

Synonyms

BRN 4827336, 2-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)-2-butynyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide, 1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)-2-butynyl)-, 1,1-dioxide, AC1MIQJ0, AC1Q6FK8, LS-33621, 26720P, 2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]but-2-yn-1-yl}-2,3-dihydro-1, 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazol-3-one, 135704-99-3

IUPAC Name

1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazol-3-one

Molecular Weight

397.4509

Molecular Formula

C₁₉H₁₉N₅O₃S

Canonical SMILES

C1CN(CCN1CC#CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4

InChI Key

XQWSQXXFMOMDMM-UHFFFAOYSA-N

Boiling Point

645ºC at 760mmHg

Flash Point

343.9ºC

Density

1.41g/cm³

Exact Mass

397.12100

H-Bond Acceptor

7

H-Bond Donor

0

MSDS

COA

Spec Sheet