89567-03-3
2-(CHLOROMETHYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
Name
2-(CHLOROMETHYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
pro_formula
C11 H11 Cl N2 O S
pro_molWeight
254.74
1Identification
【Name】
2-(CHLOROMETHYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD00782891
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H11 Cl N2 O S
【pro_molWeight】
254.74
【Inchi】
InChI=1S/C11H11ClN2OS/c12-5-8-13-10(15)9-6-3-1-2-4-7(6)16-11(9)14-8/h1-5H2,(H,13,14,15)
【InChIKey】
InChIKey=GDHMBNWVLWMONW-UHFFFAOYSA-N
【SMILES】
C1CCc2c(c3c(=O)[nH]c(nc3s2)CCl)C1
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(CHLOROMETHYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml
quick_release
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Combi-Blocks Inc.
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