854357-41-8
2-([(5-METHYL-1,2-OXAZOL-3-YL)METHYL]SULFANYL)BENZOIC ACID
Name2-([(5-METHYL-1,2-OXAZOL-3-YL)METHYL]SULFANYL)BENZOIC ACID
1Identification
【Name】
2-([(5-METHYL-1,2-OXAZOL-3-YL)METHYL]SULFANYL)BENZOIC ACID
【CAS】
【MDL】
MFCD06655907
【English Synonyms】
【Formula】
C12 H11 N O3 S
【MolWeight】
249.289
【Inchi】
InChI=1S/C12H11NO3S/c1-8-6-9(13-16-8)7-17-11-5-3-2-4-10(11)12(14)15/h2-6H,7H2,1H3,(H,14,15)
【InChIKey】
InChIKey=ABHVAMDKSLWIAS-UHFFFAOYSA-N
【SMILES】
Cc1cc(no1)CSc2ccccc2C(=O)O
【MOL File】
2-([(5-METHYL-1,2-OX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([(5-METHYL-1,2-OXAZOL-3-YL)METHYL]SULFANYL)BENZOIC ACID.cml