1245806-45-4
TERT-BUTYL 2-(4-ISOPROPYL-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)ETHYLCARBAMATE
NameTERT-BUTYL 2-(4-ISOPROPYL-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)ETHYLCARBAMATE
1Identification
【Name】
TERT-BUTYL 2-(4-ISOPROPYL-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)ETHYLCARBAMATE
【CAS】
【MDL】
MFCD12756175
【English Synonyms】
【Formula】
C12 H22 N4 O2 S
【MolWeight】
286.398
【Inchi】
InChI=1S/C12H22N4O2S/c1-8(2)16-9(14-15-10(16)19)6-7-13-11(17)18-12(3,4)5/h8H,6-7H2,1-5H3,(H,13,17)(H,15,19)
【InChIKey】
InChIKey=AXGCXMOAJUDTED-UHFFFAOYSA-N
【SMILES】
CC(C)n1c(n[nH]c1=S)CCNC(=O)OC(C)(C)C
【MOL File】
TERT-BUTYL 2-(4-ISOP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 2-(4-ISOPROPYL-5-THIOXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)ETHYLCARBAMATE.cml