2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile

About This Item

Molecular Formula	C₁₆H₁₇N₇O₂S
CAS Number	1187594-09-7

FC-0619948

Request a Quote Bulk Order Inquiry

Technical Service

Need help? Our experienced chemists are ready to assist you.

Let Us Assist →

Properties

Chemical Identifiers

IUPAC Name	2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
SMILES	CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
InChI Key	XUZMWHLSFXCVMG-UHFFFAOYSA-N
InChI	InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)

Physical Properties

Boiling Point	707.2
Flash Point	381.5±35.7 °C
Density	1.6±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

381.5±35.7 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.