792906-81-1
N-METHYL-N'-[2-(4-NITROPHENYL)ETHYL]CARBAMIMIDOTHIOIC ACID ETHYL ESTER
NameN-METHYL-N'-[2-(4-NITROPHENYL)ETHYL]CARBAMIMIDOTHIOIC ACID ETHYL ESTER
1Identification
【Name】
N-METHYL-N'-[2-(4-NITROPHENYL)ETHYL]CARBAMIMIDOTHIOIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD17189149
【English Synonyms】
【Formula】
C12 H17 N3 O2 S
【MolWeight】
267.351
【Inchi】
InChI=1S/C12H17N3O2S/c1-3-18-12(13-2)14-9-8-10-4-6-11(7-5-10)15(16)17/h4-7H,3,8-9H2,1-2H3,(H,13,14)
【InChIKey】
InChIKey=WNWYHYSLMQFKSC-UHFFFAOYSA-N
【SMILES】
CCS/C(=N/CCc1ccc(cc1)[N+](=O)[O-])/NC
【MOL File】
N-METHYL-N'-[2-(4-NI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-METHYL-N'-[2-(4-NITROPHENYL)ETHYL]CARBAMIMIDOTHIOIC ACID ETHYL ESTER.cml