500878-13-7
N,3-DIMETHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE
NameN,3-DIMETHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE
1Identification
【Name】
N,3-DIMETHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE
【CAS】
【MDL】
MFCD20228810
【English Synonyms】
【Formula】
C6 H9 N3 O S
【MolWeight】
171.223
【Inchi】
InChI=1S/C6H9N3OS/c1-4-3-5(10)9(8-4)6(11)7-2/h3H2,1-2H3,(H,7,11)
【InChIKey】
InChIKey=UQVKERAQSMORRI-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)C(=S)NC
【MOL File】
N,3-DIMETHYL-5-OXO-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N,3-DIMETHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOTHIOAMIDE.cml