38201-61-5
2-MERCAPTO-3-METHYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
Name2-MERCAPTO-3-METHYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
1Identification
【Name】
2-MERCAPTO-3-METHYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD00128348
【English Synonyms】
【Formula】
C11 H12 N2 O S2
【MolWeight】
252.361
【Inchi】
InChI=1S/C11H12N2OS2/c1-13-10(14)8-6-4-2-3-5-7(6)16-9(8)12-11(13)15/h2-5H2,1H3,(H,12,15)
【InChIKey】
InChIKey=PFSZMGIUBHSQKS-UHFFFAOYSA-N
【SMILES】
Cn1c(=O)c2c3c(sc2nc1S)CCCC3
【MOL File】
2-MERCAPTO-3-METHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-MERCAPTO-3-METHYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE.cml