80419-42-7
2-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-CYCLOPENTANONE
Name2-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-CYCLOPENTANONE
1Identification
【Name】
2-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-CYCLOPENTANONE
【CAS】
【MDL】
MFCD18833662
【English Synonyms】
【Formula】
C13 H13 N O S
【MolWeight】
231.318
【Inchi】
InChI=1S/C13H13NOS/c1-14-10-6-2-3-8-12(10)16-13(14)9-5-4-7-11(9)15/h2-3,6,8H,4-5,7H2,1H3/b13-9-
【InChIKey】
InChIKey=NSBMBMPXRYKWJX-LCYFTJDESA-N
【SMILES】
CN\1c2ccccc2S/C1=C\3/CCCC3=O
【MOL File】
2-(3-METHYL-2(3H)-BE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3-METHYL-2(3H)-BENZOTHIAZOLYLIDENE)-CYCLOPENTANONE.cml