730992-53-7
1-(3-[(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)METHYL]-4-HYDROXYPHENYL)ETHAN-1-ONE
Name1-(3-[(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)METHYL]-4-HYDROXYPHENYL)ETHAN-1-ONE
1Identification
【Name】
1-(3-[(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)METHYL]-4-HYDROXYPHENYL)ETHAN-1-ONE
【CAS】
【MDL】
MFCD04624250
【English Synonyms】
【Formula】
C12 H13 N O2 S2
【MolWeight】
267.372
【Inchi】
InChI=1S/C12H13NO2S2/c1-8(14)9-2-3-11(15)10(6-9)7-17-12-13-4-5-16-12/h2-3,6,15H,4-5,7H2,1H3
【InChIKey】
InChIKey=ROZDXHDMPJOOKE-UHFFFAOYSA-N
【SMILES】
CC(=O)c1ccc(c(c1)CSC2=NCCS2)O
【MOL File】
1-(3-[(4,5-DIHYDRO-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-[(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)METHYL]-4-HYDROXYPHENYL)ETHAN-1-ONE.cml