103814-80-8
7-(1,3-THIAZOLIDIN-2-YLMETHYL)THEOPHYLLINE
Name7-(1,3-THIAZOLIDIN-2-YLMETHYL)THEOPHYLLINE
1Identification
【Name】
7-(1,3-THIAZOLIDIN-2-YLMETHYL)THEOPHYLLINE
【CAS】
【MDL】
MFCD00869718
【English Synonyms】
【Formula】
C11 H15 N5 O2 S
【MolWeight】
281.339
【Inchi】
InChI=1S/C11H15N5O2S/c1-14-9-8(10(17)15(2)11(14)18)16(6-13-9)5-7-12-3-4-19-7/h6-7,12H,3-5H2,1-2H3
【InChIKey】
InChIKey=SYXXIOHDIHFIDC-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC3NCCS3
【MOL File】
7-(1,3-THIAZOLIDIN-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-(1,3-THIAZOLIDIN-2-YLMETHYL)THEOPHYLLINE.cml