88511-50-6
THIOCYANIC ACID 4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL ESTER
NameTHIOCYANIC ACID 4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL ESTER
1Identification
【Name】
THIOCYANIC ACID 4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL ESTER
【CAS】
【MDL】
MFCD16621363
【English Synonyms】
【Formula】
C5 H5 N3 O S
【MolWeight】
155.18
【Inchi】
InChI=1S/C5H5N3OS/c1-3-4(10-2-6)5(9)8-7-3/h4H,1H3,(H,8,9)
【InChIKey】
InChIKey=DFTCLVYYTAVFBA-UHFFFAOYSA-N
【SMILES】
CC1=NNC(=O)C1SC#N
【MOL File】
THIOCYANIC ACID 4,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
THIOCYANIC ACID 4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-4-YL ESTER.cml