55849-07-5
4,5-DIDEHYDRO-2,3,6,7-TETRAHYDRO-3,3,6,6-TETRAMETHYLTHIEPIN 1-OXIDE
Name4,5-DIDEHYDRO-2,3,6,7-TETRAHYDRO-3,3,6,6-TETRAMETHYLTHIEPIN 1-OXIDE
1Identification
【Name】
4,5-DIDEHYDRO-2,3,6,7-TETRAHYDRO-3,3,6,6-TETRAMETHYLTHIEPIN 1-OXIDE
【CAS】
【MDL】
MFCD21609217
【English Synonyms】
【Formula】
C10 H18 O S
【MolWeight】
186.317
【Inchi】
InChI=1S/C10H18OS/c1-9(2)5-6-10(3,4)8-12(11)7-9/h5-6H,7-8H2,1-4H3
【InChIKey】
InChIKey=RZIILSJAMRMOJD-UHFFFAOYSA-N
【SMILES】
CC1(CS(=O)CC(C=C1)(C)C)C
【MOL File】
4,5-DIDEHYDRO-2,3,6,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,5-DIDEHYDRO-2,3,6,7-TETRAHYDRO-3,3,6,6-TETRAMETHYLTHIEPIN 1-OXIDE.cml