497855-90-0
1,3-DIHYDRO-5-(HYDROXYMETHYL)-1-(1-METHYLETHYL)-2H-IMIDAZOLE-2-THIONE
Name1,3-DIHYDRO-5-(HYDROXYMETHYL)-1-(1-METHYLETHYL)-2H-IMIDAZOLE-2-THIONE
1Identification
【Name】
1,3-DIHYDRO-5-(HYDROXYMETHYL)-1-(1-METHYLETHYL)-2H-IMIDAZOLE-2-THIONE
【CAS】
【MDL】
MFCD17169809
【English Synonyms】
【Formula】
C7 H12 N2 O S
【MolWeight】
172.251
【Inchi】
InChI=1S/C7H12N2OS/c1-5(2)9-6(4-10)3-8-7(9)11/h3,5,10H,4H2,1-2H3,(H,8,11)
【InChIKey】
InChIKey=OXGPHMCTFUVFFU-UHFFFAOYSA-N
【SMILES】
CC(C)n1c(c[nH]c1=S)CO
【MOL File】
1,3-DIHYDRO-5-(HYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIHYDRO-5-(HYDROXYMETHYL)-1-(1-METHYLETHYL)-2H-IMIDAZOLE-2-THIONE.cml