6497-88-7
2-(BENZYLSULFANYL)-1,4,5,6-TETRAHYDROPYRIMIDINE
Name2-(BENZYLSULFANYL)-1,4,5,6-TETRAHYDROPYRIMIDINE
1Identification
【Name】
2-(BENZYLSULFANYL)-1,4,5,6-TETRAHYDROPYRIMIDINE
【CAS】
【MDL】
MFCD01415350
【English Synonyms】
【Formula】
C11 H14 N2 S
【MolWeight】
206.312
【Inchi】
InChI=1S/C11H14N2S/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11/h1-3,5-6H,4,7-9H2,(H,12,13)
【InChIKey】
InChIKey=RCBJIUDXQOQJEO-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CSC2=NCCCN2
【MOL File】
2-(BENZYLSULFANYL)-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(BENZYLSULFANYL)-1,4,5,6-TETRAHYDROPYRIMIDINE.cml