767629-42-5
N-METHYL-N'-[2-(4-NITROPHENYL)ETHYL]CARBAMIMIDOTHIOIC ACID METHYL ESTER
NameN-METHYL-N'-[2-(4-NITROPHENYL)ETHYL]CARBAMIMIDOTHIOIC ACID METHYL ESTER
1Identification
【Name】
N-METHYL-N'-[2-(4-NITROPHENYL)ETHYL]CARBAMIMIDOTHIOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD17189099
【English Synonyms】
【Formula】
C11 H15 N3 O2 S
【MolWeight】
253.324
【Inchi】
InChI=1S/C11H15N3O2S/c1-12-11(17-2)13-8-7-9-3-5-10(6-4-9)14(15)16/h3-6H,7-8H2,1-2H3,(H,12,13)
【InChIKey】
InChIKey=MYLCRHNWMVGLEC-UHFFFAOYSA-N
【SMILES】
CN/C(=N\CCc1ccc(cc1)[N+](=O)[O-])/SC
【MOL File】
N-METHYL-N'-[2-(4-NI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-METHYL-N'-[2-(4-NITROPHENYL)ETHYL]CARBAMIMIDOTHIOIC ACID METHYL ESTER.cml