41040-25-9
3,5-DIHYDRO-2,6-DIMETHYL-4H-PYRROLO[3,2-D]PYRIMIDINE-4-THIONE
Name3,5-DIHYDRO-2,6-DIMETHYL-4H-PYRROLO[3,2-D]PYRIMIDINE-4-THIONE
1Identification
【Name】
3,5-DIHYDRO-2,6-DIMETHYL-4H-PYRROLO[3,2-D]PYRIMIDINE-4-THIONE
【CAS】
【MDL】
MFCD17013916
【English Synonyms】
【Formula】
C8 H9 N3 S
【MolWeight】
179.246
【Inchi】
InChI=1S/C8H9N3S/c1-4-3-6-7(9-4)8(12)11-5(2)10-6/h3,9H,1-2H3,(H,10,11,12)
【InChIKey】
InChIKey=OKJFAEFNVNUAJE-UHFFFAOYSA-N
【SMILES】
Cc1cc2c([nH]1)c(=S)[nH]c(n2)C
【MOL File】
3,5-DIHYDRO-2,6-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIHYDRO-2,6-DIMETHYL-4H-PYRROLO[3,2-D]PYRIMIDINE-4-THIONE.cml