91902-78-2
2-THIOPHENEACETIC ACID, A-(PHENYLMETHYL)-
Name2-THIOPHENEACETIC ACID, A-(PHENYLMETHYL)-
1Identification
【Name】
2-THIOPHENEACETIC ACID, A-(PHENYLMETHYL)-
【CAS】
【MDL】
MFCD03412924
【English Synonyms】
【Formula】
C13 H12 O2 S
【MolWeight】
232.302
【Inchi】
InChI=1S/C13H12O2S/c14-13(15)11(12-7-4-8-16-12)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,14,15)
【InChIKey】
InChIKey=DDSSZBSJRNFOJW-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CC(c2cccs2)C(=O)O
【MOL File】
2-THIOPHENEACETIC AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-THIOPHENEACETIC ACID, A-(PHENYLMETHYL)-.cml