925688-13-7
1,2,3,4-TETRAHYDRO-3-METHYL-1-(1-METHYLETHYL)-2,4-DIOXO-THIENO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID
Name1,2,3,4-TETRAHYDRO-3-METHYL-1-(1-METHYLETHYL)-2,4-DIOXO-THIENO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID
1Identification
【Name】
1,2,3,4-TETRAHYDRO-3-METHYL-1-(1-METHYLETHYL)-2,4-DIOXO-THIENO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD12828642
【English Synonyms】
【Formula】
C11 H12 N2 O4 S
【MolWeight】
268.292
【Inchi】
InChI=1S/C11H12N2O4S/c1-5(2)13-9-7(6(4-18-9)10(15)16)8(14)12(3)11(13)17/h4-5H,1-3H3,(H,15,16)
【InChIKey】
InChIKey=NPBIHKPZRVQDAV-UHFFFAOYSA-N
【SMILES】
CC(C)n1c2c(c(cs2)C(=O)O)c(=O)n(c1=O)C
【MOL File】
1,2,3,4-TETRAHYDRO-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,3,4-TETRAHYDRO-3-METHYL-1-(1-METHYLETHYL)-2,4-DIOXO-THIENO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID.cml