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

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

CAS No.:
1281935-95-2
Catalog Number:
AG01A4YL
Molecular Formula:
C11H10N2O3S
Molecular Weight:
250.2737
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Product Description
Catalog Number:
AG01A4YL
Chemical Name:
2-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl}acetic acid
CAS Number:
1281935-95-2
Molecular Formula:
C11H10N2O3S
Molecular Weight:
250.2737
MDL Number:
MFCD16991444
IUPAC Name:
2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
InChI:
InChI=1S/C11H10N2O3S/c1-7-3-2-4-8(5-7)10-12-11(16-13-10)17-6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChI Key:
DTVLDVUIQLOKSK-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1onc(n1)c1cccc(c1)C
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:
2.6  
Properties