57841-38-0
3,4,5,6-TETRAHYDRO-6-(3,5-XYLYLOXYMETHYL)-2H-1,3-OXAZINE-2-THIONE
Name3,4,5,6-TETRAHYDRO-6-(3,5-XYLYLOXYMETHYL)-2H-1,3-OXAZINE-2-THIONE
1Identification
【Name】
3,4,5,6-TETRAHYDRO-6-(3,5-XYLYLOXYMETHYL)-2H-1,3-OXAZINE-2-THIONE
【CAS】
【MDL】
MFCD01710094
【English Synonyms】
【Formula】
C13 H17 N O2 S
【MolWeight】
251.348
【Inchi】
InChI=1S/C13H17NO2S/c1-9-5-10(2)7-12(6-9)15-8-11-3-4-14-13(17)16-11/h5-7,11H,3-4,8H2,1-2H3,(H,14,17)
【InChIKey】
InChIKey=FJYZGKFLWKKSIX-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1)OCC2CCNC(=S)O2)C
【MOL File】
3,4,5,6-TETRAHYDRO-6….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
3,4,5,6-TETRAHYDRO-6-(3,5-XYLYLOXYMETHYL)-2H-1,3-OXAZINE-2-THIONE.cml