505-44-2
IBERIN
Name
IBERIN
Formula
C5 H9 N O S2
MolWeight
163.264
1Identification
【Name】
IBERIN
【CAS】
【MDL】
MFCD01076593
【English Synonyms】
【Formula】
C5 H9 N O S2
【MolWeight】
163.264
【Inchi】
InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3
【InChIKey】
InChIKey=LELAOEBVZLPXAZ-UHFFFAOYSA-N
【SMILES】
CS(=O)CCCN=C=S
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
IBERIN.cml
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