54912-92-4
S-PHENYL 1-TERT-BUTYL-2-AZIRIDINECARBOTHIOATE
NameS-PHENYL 1-TERT-BUTYL-2-AZIRIDINECARBOTHIOATE
1Identification
【Name】
S-PHENYL 1-TERT-BUTYL-2-AZIRIDINECARBOTHIOATE
【CAS】
【MDL】
MFCD21338149
【English Synonyms】
【Formula】
C13 H17 N O S
【MolWeight】
235.349
【Inchi】
InChI=1S/C13H17NOS/c1-13(2,3)14-9-11(14)12(15)16-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
【InChIKey】
InChIKey=MMCNMCSEJHZOPU-UHFFFAOYSA-N
【SMILES】
CC(C)(C)N1CC1C(=O)Sc2ccccc2
【MOL File】
S-PHENYL 1-TERT-BUTY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
S-PHENYL 1-TERT-BUTYL-2-AZIRIDINECARBOTHIOATE.cml