54968-60-4
(4-HYDROXY-5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
Name
(4-HYDROXY-5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
Formula
C10 H10 N2 O3 S2
MolWeight
270.332
1Identification
【Name】
(4-HYDROXY-5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID
【CAS】
【MDL】
MFCD02366425
【English Synonyms】
【Formula】
C10 H10 N2 O3 S2
【MolWeight】
270.332
【Inchi】
InChI=1S/C10H10N2O3S2/c1-4-5(2)17-9-7(4)8(15)11-10(12-9)16-3-6(13)14/h3H2,1-2H3,(H,13,14)(H,11,12,15)
【InChIKey】
InChIKey=LVWACCRXYJGLMY-UHFFFAOYSA-N
【SMILES】
Cc1c(sc2c1c(nc(n2)SCC(=O)O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-HYDROXY-5,6-DIMETHYL-THIENO[2,3-D]PYRIMIDIN-2-YLSULFANYL)-ACETIC ACID.cml
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