898748-43-1
6-(1,1-DIMETHYLETHYL)-2(3H)-BENZOTHIAZOLONE
Name6-(1,1-DIMETHYLETHYL)-2(3H)-BENZOTHIAZOLONE
1Identification
【Name】
6-(1,1-DIMETHYLETHYL)-2(3H)-BENZOTHIAZOLONE
【CAS】
【MDL】
MFCD09746167
【English Synonyms】
【Formula】
C11 H13 N O S
【MolWeight】
207.296
【Inchi】
InChI=1S/C11H13NOS/c1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8/h4-6H,1-3H3,(H,12,13)
【InChIKey】
InChIKey=FYDKYMICZYHDMQ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc2c(c1)sc(=O)[nH]2
【MOL File】
6-(1,1-DIMETHYLETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(1,1-DIMETHYLETHYL)-2(3H)-BENZOTHIAZOLONE.cml