314042-01-8

Name CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
CAS 314042-01-8
Molecular Formula C18H18N2O4S2
MDL Number MFCD01557530
Molecular Weight 390.48
MOL File 314042-01-8.mol

Chemical Properties

density  1.410±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: soluble10mg/mL, clear
form  powder
pka 4.25±0.40(Predicted)
color  white to light brown
Stability: Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months.
InChI 1S/C18H18N2O4S2/c1-18(2)8-11-12(9-24-18)26-15(13(11)16(22)23)20-17(25)19-14(21)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,22,23)(H2,19,20,21,25)
InChIKey ATSWBWHRHAQVFM-UHFFFAOYSA-N
SMILES [s]1c2c(c(c1NC(=S)NC(=O)c3ccccc3)C(=O)O)CC(OC2)(C)C

Safety Data

WGK Germany  3
Storage Class 11 - Combustible Solids

Hazard Information

Supplier