57841-34-6
3,4,5,6-TETRAHYDRO-6-(3,4-XYLYLOXYMETHYL)-2H-1,3-OXAZINE-2-THIONE
Name3,4,5,6-TETRAHYDRO-6-(3,4-XYLYLOXYMETHYL)-2H-1,3-OXAZINE-2-THIONE
1Identification
【Name】
3,4,5,6-TETRAHYDRO-6-(3,4-XYLYLOXYMETHYL)-2H-1,3-OXAZINE-2-THIONE
【CAS】
【MDL】
MFCD01710093
【English Synonyms】
【Formula】
C13 H17 N O2 S
【MolWeight】
251.348
【Inchi】
InChI=1S/C13H17NO2S/c1-9-3-4-11(7-10(9)2)15-8-12-5-6-14-13(17)16-12/h3-4,7,12H,5-6,8H2,1-2H3,(H,14,17)
【InChIKey】
InChIKey=NCTZGCZZFHUNDY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)OCC2CCNC(=S)O2
【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-(3,4-XYLYLOXYMETHYL)-2H-1,3-OXAZINE-2-THIONE.cml