569652-91-1
TERT-BUTYL 4-(4-CYANO-TETRAHYDRO-2H-THIOPYRAN-4-YL)PIPERAZINE-1-CARBOXYLATE
NameTERT-BUTYL 4-(4-CYANO-TETRAHYDRO-2H-THIOPYRAN-4-YL)PIPERAZINE-1-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 4-(4-CYANO-TETRAHYDRO-2H-THIOPYRAN-4-YL)PIPERAZINE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD16659877
【English Synonyms】
【Formula】
C15H25N3O2S
【MolWeight】
311.448
【Inchi】
InChI=1S/C15H25N3O2S/c1-14(2,3)20-13(19)17-6-8-18(9-7-17)15(12-16)4-10-21-11-5-15/h4-11H2,1-3H3
【InChIKey】
InChIKey=ZEGWABVMRLZRJZ-UHFFFAOYSA-N
【SMILES】
C(#N)C1(CCSCC1)N1CCN(CC1)C(=O)OC(C)(C)C
【MOL File】
TERT-BUTYL 4-(4-CYAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.3754
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 4-(4-CYANO-TETRAHYDRO-2H-THIOPYRAN-4-YL)PIPERAZINE-1-CARBOXYLATE.cml