2,1,3-Benzoxadiazole-4-sulfonamide,7-[(3S)-3-isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-

Catalog Number

ACM163927320

Product Name

2,1,3-Benzoxadiazole-4-sulfonamide,7-[(3S)-3-isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-

Structure

CAS

163927-32-0

Category

Heterocyclic Organic Compound

Synonyms

163927-32-0, (S)-(+)-1-[7-(Dimethylaminosulfonyl)benzofurazan-4-yl]pyrrolidin-3-yl isothiocyanate, 91609_FLUKA, CTK4D1689, (S)-(+)-DBD-Py-NCS, AKOS015910899, AG-E-13804, FT-0643582, I14-38427, (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)benzofurazan, 2,1,3-Benzoxadiazole-4-sulfonamide,7-[(3S)-3-isothiocyanato-1-pyrrolidinyl]-N,N-dimethyl-, (S)-(+)-4-(N,N-Dimethylaminosulfonyl)-7-(3-isothiocyanatopyrrolidin-1-yl)-2,1,3-benzoxadiazole, 2,1,3-Benzoxadiazole-4-sulfonamide,7-(3-isothiocyanato-1-pyrrolidinyl)-N,N-dimethyl-, (S)-;(S)-(+)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole

IUPAC Name

7-[(3S)-3-isothiocyanatopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide

Molecular Weight

353.42

Molecular Formula

C₁₃H₁₅N₅O₃S₂

Canonical SMILES

CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S

InChI Key

YMXYIIXTKUQWPC-VIFPVBQESA-N

Boiling Point

564.9ºC at 760 mmHg

Melting Point

157-160ºC

Flash Point

295.4ºC

Density

1.56g/cm³

Exact Mass

353.06200

H-Bond Acceptor

9

H-Bond Donor

0

WGK Germany

3

MSDS

COA

Spec Sheet