51659-38-2
1,2,4,5-TETRAHYDRO-3-BENZOTHIEPIN-1-ONE
Name1,2,4,5-TETRAHYDRO-3-BENZOTHIEPIN-1-ONE
1Identification
【Name】
1,2,4,5-TETRAHYDRO-3-BENZOTHIEPIN-1-ONE
【CAS】
【MDL】
MFCD22375268
【English Synonyms】
【Formula】
C10 H10 O S
【MolWeight】
178.254
【Inchi】
InChI=1S/C10H10OS/c11-10-7-12-6-5-8-3-1-2-4-9(8)10/h1-4H,5-7H2
【InChIKey】
InChIKey=RCTIOGJZWWWRBU-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CCSCC2=O
【MOL File】
1,2,4,5-TETRAHYDRO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1,2,4,5-TETRAHYDRO-3-BENZOTHIEPIN-1-ONE.cml