3-(Pyrimidin-2-ylthio)pentane-2,4-dione

Catalog Number	ACM175277255-1
CAS	175277-25-5
Structure
Synonyms	2,4-Pentanedione, 3-(2-pyrimidinylthio)-
IUPAC Name	3-pyrimidin-2-ylsulfanylpentane-2,4-dione
Molecular Weight	210.25
Molecular Formula	C9H10N2O2S
Canonical SMILES	CC(=O)C(C(=O)C)SC1=NC=CC=N1
InChI	PFADKNBSIBFUDF-UHFFFAOYSA-N
InChI Key	InChI=1S/C9H10N2O2S/c1-6(12)8(7(2)13)14-9-10-4-3-5-11-9/h3-5,8H,1-2H3
Boiling Point	314.9ºC at 760mmHg
Flash Point	144.3ºC
Purity	98%
Density	1.25g/cm³
Appearance	Solid
Exact Mass	210.04600
Isomeric SMILES	CC(=O)C(C(=O)C)SC1=NC=CC=N1