104728-82-7
1H-PYRAZOLE-1-CARBOTHIOAMIDE, 4,5-DIHYDRO-5-HYDROXY-N,3,5-TRIMETHYL-
Name1H-PYRAZOLE-1-CARBOTHIOAMIDE, 4,5-DIHYDRO-5-HYDROXY-N,3,5-TRIMETHYL-
1Identification
【Name】
1H-PYRAZOLE-1-CARBOTHIOAMIDE, 4,5-DIHYDRO-5-HYDROXY-N,3,5-TRIMETHYL-
【CAS】
【MDL】
MFCD00463387
【English Synonyms】
【Formula】
C7 H13 N3 O S
【MolWeight】
187.266
【Inchi】
InChI=1S/C7H13N3OS/c1-5-4-7(2,11)10(9-5)6(12)8-3/h11H,4H2,1-3H3,(H,8,12)
【InChIKey】
InChIKey=IFVMMYNRKZEABK-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(C1)(C)O)C(=S)NC
【MOL File】
1H-PYRAZOLE-1-CARBOT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRAZOLE-1-CARBOTHIOAMIDE, 4,5-DIHYDRO-5-HYDROXY-N,3,5-TRIMETHYL-.cml