126637-05-6
3-ALLYL-2-MERCAPTO-5-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name3-ALLYL-2-MERCAPTO-5-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
3-ALLYL-2-MERCAPTO-5-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD09042071
【English Synonyms】
【Formula】
C10 H10 N2 O S2
【MolWeight】
238.334
【Inchi】
InChI=1S/C10H10N2OS2/c1-3-4-12-9(13)7-6(2)5-15-8(7)11-10(12)14/h3,5H,1,4H2,2H3,(H,11,14)
【InChIKey】
InChIKey=GCDDGDOMKFSJTQ-UHFFFAOYSA-N
【SMILES】
Cc1csc2c1c(=O)n(c(n2)S)CC=C
【MOL File】
3-ALLYL-2-MERCAPTO-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ALLYL-2-MERCAPTO-5-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml