861595-10-0
1-IMIDAZOLECARBOXYLIC ACID, TETRAHYDRO-4-KETO-2-(THIOKETO)-, ETHYL ESTER
Name1-IMIDAZOLECARBOXYLIC ACID, TETRAHYDRO-4-KETO-2-(THIOKETO)-, ETHYL ESTER
1Identification
【Name】
1-IMIDAZOLECARBOXYLIC ACID, TETRAHYDRO-4-KETO-2-(THIOKETO)-, ETHYL ESTER
【CAS】
【MDL】
MFCD17018277
【English Synonyms】
【Formula】
C6 H8 N2 O3 S
【MolWeight】
188.206
【Inchi】
InChI=1S/C6H8N2O3S/c1-2-11-6(10)8-3-4(9)7-5(8)12/h2-3H2,1H3,(H,7,9,12)
【InChIKey】
InChIKey=GDBAKSJDPJCQPI-UHFFFAOYSA-N
【SMILES】
CCOC(=O)N1CC(=O)NC1=S
【MOL File】
1-IMIDAZOLECARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-IMIDAZOLECARBOXYLIC ACID, TETRAHYDRO-4-KETO-2-(THIOKETO)-, ETHYL ESTER.cml