16219-06-0
8-METHOXY-DIBENZO[B,F]THIEPIN-10(11H)-ONE
Name8-METHOXY-DIBENZO[B,F]THIEPIN-10(11H)-ONE
1Identification
【Name】
8-METHOXY-DIBENZO[B,F]THIEPIN-10(11H)-ONE
【CAS】
【MDL】
MFCD02942611
【English Synonyms】
【Formula】
C15 H12 O2 S
【MolWeight】
256.324
【Inchi】
InChI=1S/C15H12O2S/c1-17-11-6-7-15-12(9-11)13(16)8-10-4-2-3-5-14(10)18-15/h2-7,9H,8H2,1H3
【InChIKey】
InChIKey=PKVRQYUJOLOWKW-UHFFFAOYSA-N
【SMILES】
COc1ccc2c(c1)C(=O)Cc3ccccc3S2
【MOL File】
8-METHOXY-DIBENZO[B,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-METHOXY-DIBENZO[B,F]THIEPIN-10(11H)-ONE.cml