565171-11-1
6-CHLORO-4-OXO-8-(PYRIMIDIN-2-YLSULFANYLMETHYL)-4H-CHROMENE-3-CARBALDEHYDE
Name6-CHLORO-4-OXO-8-(PYRIMIDIN-2-YLSULFANYLMETHYL)-4H-CHROMENE-3-CARBALDEHYDE
1Identification
【Name】
6-CHLORO-4-OXO-8-(PYRIMIDIN-2-YLSULFANYLMETHYL)-4H-CHROMENE-3-CARBALDEHYDE
【CAS】
【MDL】
MFCD03980999
【English Synonyms】
【Formula】
C15 H9 Cl N2 O3 S
【MolWeight】
332.766
【Inchi】
InChI=1S/C15H9ClN2O3S/c16-11-4-9(8-22-15-17-2-1-3-18-15)14-12(5-11)13(20)10(6-19)7-21-14/h1-7H,8H2
【InChIKey】
InChIKey=QGQVNGCAABFFQI-UHFFFAOYSA-N
【SMILES】
c1cnc(nc1)SCc2cc(cc3c2occ(c3=O)C=O)Cl
【MOL File】
6-CHLORO-4-OXO-8-(PY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-CHLORO-4-OXO-8-(PYRIMIDIN-2-YLSULFANYLMETHYL)-4H-CHROMENE-3-CARBALDEHYDE.cml