28159-98-0
IRGAROL
Name
IRGAROL
Formula
C11 H19 N5 S
MolWeight
253.372
1Identification
【Name】
IRGAROL
【CAS】
【MDL】
MFCD01863779
【English Synonyms】
【Formula】
C11 H19 N5 S
【MolWeight】
253.372
【Inchi】
InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
【InChIKey】
InChIKey=HDHLIWCXDDZUFH-UHFFFAOYSA-N
【SMILES】
CC(C)(C)Nc1nc(nc(n1)SC)NC2CC2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
IRGAROL.cml
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CGeneTech, Inc.
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