57149-14-1
2-[(3-FLUOROPHENYL)CARBOTHIOYLSULFANYL]ACETIC ACID
Name2-[(3-FLUOROPHENYL)CARBOTHIOYLSULFANYL]ACETIC ACID
1Identification
【Name】
2-[(3-FLUOROPHENYL)CARBOTHIOYLSULFANYL]ACETIC ACID
【CAS】
【MDL】
MFCD17014683
【English Synonyms】
【Formula】
C9 H7 F O2 S2
【MolWeight】
230.282
【Inchi】
InChI=1S/C9H7FO2S2/c10-7-3-1-2-6(4-7)9(13)14-5-8(11)12/h1-4H,5H2,(H,11,12)
【InChIKey】
InChIKey=NUGQYBHNJGTVBO-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)F)C(=S)SCC(=O)O
【MOL File】
2-[(3-FLUOROPHENYL)C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(3-FLUOROPHENYL)CARBOTHIOYLSULFANYL]ACETIC ACID.cml