Home Other Building Blocks 2-{[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]sulfanyl}benzoic acid

2-{[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]sulfanyl}benzoic acid

CAS No.:
941378-49-0
Catalog Number:
AG019KOZ
Molecular Formula:
C11H10N2O3S
Molecular Weight:
250.2737
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Product Description
Catalog Number:
AG019KOZ
Chemical Name:
2-{[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]sulfanyl}benzoic acid
CAS Number:
941378-49-0
Molecular Formula:
C11H10N2O3S
Molecular Weight:
250.2737
MDL Number:
MFCD09413160
IUPAC Name:
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoic acid
InChI:
InChI=1S/C11H10N2O3S/c1-7-12-10(13-16-7)6-17-9-5-3-2-4-8(9)11(14)15/h2-5H,6H2,1H3,(H,14,15)
InChI Key:
IWSQNZYZCHJKLK-UHFFFAOYSA-N
SMILES:
Cc1onc(n1)CSc1ccccc1C(=O)O
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.041g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.272g/mol
Monoisotopic Mass:
250.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties