117134-80-2
3,4,5-TRIMETHYL-1H-PYRAZOLE-1-CARBOTHIOAMIDE
Name3,4,5-TRIMETHYL-1H-PYRAZOLE-1-CARBOTHIOAMIDE
1Identification
【Name】
3,4,5-TRIMETHYL-1H-PYRAZOLE-1-CARBOTHIOAMIDE
【CAS】
【MDL】
MFCD01103389
【English Synonyms】
【Formula】
C7 H11 N3 S
【MolWeight】
169.251
【Inchi】
InChI=1S/C7H11N3S/c1-4-5(2)9-10(6(4)3)7(8)11/h1-3H3,(H2,8,11)
【InChIKey】
InChIKey=JPDCRXNBPJZAOP-UHFFFAOYSA-N
【SMILES】
Cc1c(nn(c1C)C(=S)N)C
【MOL File】
3,4,5-TRIMETHYL-1H-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4,5-TRIMETHYL-1H-PYRAZOLE-1-CARBOTHIOAMIDE.cml