749255-48-9
(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-ACETIC ACID
Name(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-ACETIC ACID
1Identification
【Name】
(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-ACETIC ACID
【CAS】
【MDL】
MFCD18835958
【English Synonyms】
【Formula】
C11 H11 N O2 S
【MolWeight】
221.279
【Inchi】
InChI=1S/C11H11NO2S/c1-2-12-8-5-3-4-6-9(8)15-10(12)7-11(13)14/h3-7H,2H2,1H3,(H,13,14)/b10-7+
【InChIKey】
InChIKey=MBYLZDYBYBYTOC-JXMROGBWSA-N
【SMILES】
CCN\1c2ccccc2S/C1=C/C(=O)O
【MOL File】
(3-ETHYL-2(3H)-BENZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3-ETHYL-2(3H)-BENZOTHIAZOLYLIDENE)-ACETIC ACID.cml